USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1614 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 15 THR OG1 : rot -179:sc= 0.0205 USER MOD Set 1.2: B 15 THR OG1 : rot 171:sc= 0.0223 USER MOD Single : A 1 MET CE :methyl -122:sc= -4.11! (180deg=-9.74!) USER MOD Single : A 1 MET N :NH3+ -171:sc= -3.33! (180deg=-3.59!) USER MOD Single : A 5 THR OG1 : rot -140:sc= -1.01 USER MOD Single : A 7 THR OG1 : rot 74:sc= 0.987 USER MOD Single : A 18 SER OG : rot 96:sc= 0.721 USER MOD Single : A 19 THR OG1 : rot 122:sc= -0.529 USER MOD Single : A 22 THR OG1 : rot -75:sc= 1.26 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0231 (180deg=-0.213) USER MOD Single : A 32 SER OG : rot -101:sc= -0.791! USER MOD Single : A 34 ASN : amide:sc= -2.19 K(o=-2.2,f=-5.4!) USER MOD Single : A 36 ASN : amide:sc= -4.76! C(o=-4.8!,f=-2.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -109:sc= 0.769 USER MOD Single : A 44 GLN : amide:sc= -0.748 X(o=-0.75,f=-0.6) USER MOD Single : A 45 GLN : amide:sc= -9.08! C(o=-9.1!,f=-11!) USER MOD Single : A 48 HIS : no HD1:sc= -2.56 K(o=-2.6,f=-9.4!) USER MOD Single : A 51 LYS NZ :NH3+ 145:sc= -2.86! (180deg=-5.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0.22 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= -4.58! (180deg=-5.53!) USER MOD Single : A 60 MET CE :methyl 157:sc= -0.233 (180deg=-0.993) USER MOD Single : A 61 LYS NZ :NH3+ 134:sc= -0.0684 (180deg=-0.363) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.2 K(o=-3.2,f=-7.2!) USER MOD Single : A 67 GLN : amide:sc= -7.41! C(o=-7.4!,f=-4.5!) USER MOD Single : A 69 SER OG : rot -86:sc= -0.902 USER MOD Single : A 74 SER OG : rot -71:sc= -4.11! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -145:sc= 0.967 (180deg=-0.912!) USER MOD Single : A 89 LYS NZ :NH3+ -132:sc= -5.58! (180deg=-10.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= -2.86 (180deg=-2.88) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -125:sc= -4.05! (180deg=-9.79!) USER MOD Single : B 1 MET N :NH3+ 180:sc= -2.67! (180deg=-2.67!) USER MOD Single : B 5 THR OG1 : rot -140:sc= -1.14! USER MOD Single : B 7 THR OG1 : rot 71:sc= 1.03 USER MOD Single : B 18 SER OG : rot 96:sc= 0.706 USER MOD Single : B 19 THR OG1 : rot 170:sc= -0.518 USER MOD Single : B 22 THR OG1 : rot -92:sc= 1.2 USER MOD Single : B 30 LYS NZ :NH3+ -169:sc= -0.0294 (180deg=-0.179) USER MOD Single : B 32 SER OG : rot -92:sc= -0.704! USER MOD Single : B 34 ASN : amide:sc= -2.09 K(o=-2.1,f=-5.3!) USER MOD Single : B 36 ASN : amide:sc= -4.23! C(o=-4.2!,f=-2.6!) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -109:sc= 0.924 USER MOD Single : B 44 GLN : amide:sc= -0.83 X(o=-0.83,f=-0.76) USER MOD Single : B 45 GLN : amide:sc= -8.55! C(o=-8.5!,f=-12!) USER MOD Single : B 48 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-8.8!) USER MOD Single : B 51 LYS NZ :NH3+ 149:sc= -3.37! (180deg=-6.18!) USER MOD Single : B 55 SER OG : rot 180:sc= 0.0516 USER MOD Single : B 59 LYS NZ :NH3+ 161:sc= -4.48! (180deg=-5.33!) USER MOD Single : B 60 MET CE :methyl 157:sc= -0.258 (180deg=-0.984) USER MOD Single : B 61 LYS NZ :NH3+ 164:sc= -0.0324 (180deg=-0.356) USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -3.11 K(o=-3.1,f=-6.7!) USER MOD Single : B 67 GLN : amide:sc= -6.1! C(o=-6.1!,f=-3.9!) USER MOD Single : B 69 SER OG : rot -91:sc= -0.725 USER MOD Single : B 74 SER OG : rot -59:sc= -3.43! USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ -148:sc= 0.835 (180deg=-1.03!) USER MOD Single : B 89 LYS NZ :NH3+ -128:sc= -5.61! (180deg=-11!) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ -176:sc= -2.61 (180deg=-2.74) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.379 4.598 -3.405 1.00 0.64 N ATOM 2 CA MET A 1 -17.407 5.704 -3.205 1.00 0.59 C ATOM 3 C MET A 1 -16.055 5.346 -3.787 1.00 0.60 C ATOM 4 O MET A 1 -15.684 4.177 -3.874 1.00 0.61 O ATOM 5 CB MET A 1 -17.200 6.003 -1.725 1.00 0.57 C ATOM 6 CG MET A 1 -18.129 7.060 -1.113 1.00 0.61 C ATOM 7 SD MET A 1 -19.807 7.040 -1.786 1.00 0.96 S ATOM 8 CE MET A 1 -19.887 8.653 -2.564 1.00 1.17 C ATOM 0 H1 MET A 1 -19.331 4.920 -3.138 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.378 4.311 -4.405 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.109 3.787 -2.812 1.00 0.64 H new ATOM 0 HA MET A 1 -17.823 6.577 -3.708 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.322 5.075 -1.167 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.169 6.328 -1.582 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.179 6.905 -0.035 1.00 0.61 H new ATOM 0 HG3 MET A 1 -17.696 8.047 -1.274 1.00 0.61 H new ATOM 0 HE1 MET A 1 -20.715 9.221 -2.140 1.00 1.17 H new ATOM 0 HE2 MET A 1 -18.953 9.188 -2.390 1.00 1.17 H new ATOM 0 HE3 MET A 1 -20.041 8.533 -3.636 1.00 1.17 H new ATOM 20 N ALA A 2 -15.335 6.369 -4.189 1.00 0.62 N ATOM 21 CA ALA A 2 -14.006 6.200 -4.737 1.00 0.65 C ATOM 22 C ALA A 2 -12.963 6.830 -3.832 1.00 0.62 C ATOM 23 O ALA A 2 -13.124 7.965 -3.384 1.00 0.72 O ATOM 24 CB ALA A 2 -13.920 6.781 -6.137 1.00 0.73 C ATOM 0 H ALA A 2 -15.651 7.338 -4.146 1.00 0.62 H new ATOM 0 HA ALA A 2 -13.802 5.131 -4.799 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -12.912 6.642 -6.527 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -14.634 6.274 -6.786 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.153 7.845 -6.104 1.00 0.73 H new ATOM 30 N ALA A 3 -11.898 6.095 -3.563 1.00 0.73 N ATOM 31 CA ALA A 3 -10.831 6.613 -2.729 1.00 0.76 C ATOM 32 C ALA A 3 -10.094 7.713 -3.476 1.00 0.66 C ATOM 33 O ALA A 3 -9.211 7.447 -4.292 1.00 0.81 O ATOM 34 CB ALA A 3 -9.885 5.496 -2.320 1.00 1.06 C ATOM 0 H ALA A 3 -11.751 5.146 -3.907 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.255 7.034 -1.818 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.090 5.903 -1.695 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.436 4.739 -1.761 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.450 5.043 -3.211 1.00 1.06 H new ATOM 40 N GLU A 4 -10.472 8.951 -3.189 1.00 0.63 N ATOM 41 CA GLU A 4 -9.880 10.105 -3.846 1.00 0.75 C ATOM 42 C GLU A 4 -8.423 10.297 -3.434 1.00 0.74 C ATOM 43 O GLU A 4 -7.519 9.865 -4.149 1.00 0.85 O ATOM 44 CB GLU A 4 -10.706 11.350 -3.535 1.00 0.97 C ATOM 45 CG GLU A 4 -10.183 12.615 -4.190 1.00 1.44 C ATOM 46 CD GLU A 4 -9.763 12.403 -5.633 1.00 2.42 C ATOM 47 OE1 GLU A 4 -8.722 11.751 -5.858 1.00 3.03 O ATOM 48 OE2 GLU A 4 -10.477 12.886 -6.537 1.00 3.20 O ATOM 0 H GLU A 4 -11.190 9.181 -2.502 1.00 0.63 H new ATOM 0 HA GLU A 4 -9.887 9.933 -4.922 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -11.733 11.183 -3.859 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -10.732 11.496 -2.455 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -10.954 13.384 -4.151 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -9.332 12.988 -3.620 1.00 1.44 H new ATOM 55 N THR A 5 -8.181 10.943 -2.294 1.00 0.69 N ATOM 56 CA THR A 5 -6.809 11.156 -1.844 1.00 0.74 C ATOM 57 C THR A 5 -6.297 10.011 -0.956 1.00 0.61 C ATOM 58 O THR A 5 -5.838 8.989 -1.464 1.00 0.78 O ATOM 59 CB THR A 5 -6.649 12.500 -1.106 1.00 0.93 C ATOM 60 OG1 THR A 5 -7.006 13.584 -1.973 1.00 1.43 O ATOM 61 CG2 THR A 5 -5.222 12.684 -0.613 1.00 1.09 C ATOM 0 H THR A 5 -8.901 11.320 -1.678 1.00 0.69 H new ATOM 0 HA THR A 5 -6.201 11.179 -2.748 1.00 0.74 H new ATOM 0 HB THR A 5 -7.314 12.494 -0.243 1.00 0.93 H new ATOM 0 HG1 THR A 5 -6.383 14.329 -1.839 1.00 1.43 H new ATOM 0 HG21 THR A 5 -5.136 13.640 -0.096 1.00 1.09 H new ATOM 0 HG22 THR A 5 -4.967 11.876 0.073 1.00 1.09 H new ATOM 0 HG23 THR A 5 -4.539 12.668 -1.462 1.00 1.09 H new ATOM 69 N LEU A 6 -6.379 10.180 0.369 1.00 0.54 N ATOM 70 CA LEU A 6 -5.882 9.179 1.301 1.00 0.50 C ATOM 71 C LEU A 6 -7.005 8.416 1.946 1.00 0.49 C ATOM 72 O LEU A 6 -7.806 8.988 2.686 1.00 0.56 O ATOM 73 CB LEU A 6 -5.080 9.836 2.428 1.00 0.61 C ATOM 74 CG LEU A 6 -3.991 10.795 1.981 1.00 0.75 C ATOM 75 CD1 LEU A 6 -4.455 12.234 2.176 1.00 1.15 C ATOM 76 CD2 LEU A 6 -2.700 10.540 2.745 1.00 1.07 C ATOM 0 H LEU A 6 -6.786 11.003 0.813 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.255 8.503 0.719 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.771 10.375 3.076 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -4.624 9.051 3.031 1.00 0.61 H new ATOM 0 HG LEU A 6 -3.793 10.629 0.922 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -3.669 12.917 1.853 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -5.354 12.410 1.585 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -4.675 12.406 3.230 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -1.934 11.238 2.408 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -2.875 10.680 3.812 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.365 9.519 2.563 1.00 1.07 H new ATOM 88 N THR A 7 -7.081 7.131 1.678 1.00 0.50 N ATOM 89 CA THR A 7 -8.093 6.347 2.325 1.00 0.54 C ATOM 90 C THR A 7 -7.655 6.117 3.758 1.00 0.48 C ATOM 91 O THR A 7 -6.502 6.372 4.100 1.00 0.54 O ATOM 92 CB THR A 7 -8.352 4.987 1.639 1.00 0.62 C ATOM 93 OG1 THR A 7 -7.368 4.744 0.627 1.00 0.85 O ATOM 94 CG2 THR A 7 -9.742 4.920 1.019 1.00 0.83 C ATOM 0 H THR A 7 -6.472 6.625 1.036 1.00 0.50 H new ATOM 0 HA THR A 7 -9.032 6.898 2.268 1.00 0.54 H new ATOM 0 HB THR A 7 -8.286 4.219 2.410 1.00 0.62 H new ATOM 0 HG1 THR A 7 -6.515 4.512 1.049 1.00 0.85 H new ATOM 0 HG21 THR A 7 -9.883 3.948 0.547 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.494 5.059 1.796 1.00 0.83 H new ATOM 0 HG23 THR A 7 -9.844 5.705 0.270 1.00 0.83 H new ATOM 102 N GLU A 8 -8.557 5.645 4.604 1.00 0.45 N ATOM 103 CA GLU A 8 -8.205 5.386 6.004 1.00 0.44 C ATOM 104 C GLU A 8 -6.860 4.662 6.115 1.00 0.41 C ATOM 105 O GLU A 8 -6.170 4.765 7.129 1.00 0.42 O ATOM 106 CB GLU A 8 -9.273 4.559 6.714 1.00 0.50 C ATOM 107 CG GLU A 8 -10.699 4.894 6.309 1.00 0.52 C ATOM 108 CD GLU A 8 -11.012 6.370 6.454 1.00 1.09 C ATOM 109 OE1 GLU A 8 -10.598 7.155 5.575 1.00 1.94 O ATOM 110 OE2 GLU A 8 -11.671 6.742 7.447 1.00 1.67 O ATOM 0 H GLU A 8 -9.524 5.434 4.358 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.133 6.360 6.488 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.090 3.503 6.514 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.171 4.702 7.790 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -10.860 4.592 5.274 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.392 4.317 6.921 1.00 0.52 H new ATOM 117 N LEU A 9 -6.494 3.933 5.061 1.00 0.41 N ATOM 118 CA LEU A 9 -5.248 3.192 5.035 1.00 0.40 C ATOM 119 C LEU A 9 -4.062 4.096 5.333 1.00 0.38 C ATOM 120 O LEU A 9 -3.017 3.626 5.772 1.00 0.39 O ATOM 121 CB LEU A 9 -5.066 2.557 3.662 1.00 0.45 C ATOM 122 CG LEU A 9 -6.324 1.955 3.044 1.00 0.57 C ATOM 123 CD1 LEU A 9 -5.979 1.038 1.887 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.148 1.233 4.090 1.00 0.92 C ATOM 0 H LEU A 9 -7.052 3.844 4.212 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.293 2.421 5.804 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -4.674 3.312 2.981 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.311 1.775 3.740 1.00 0.45 H new ATOM 0 HG LEU A 9 -6.928 2.772 2.649 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -6.895 0.623 1.466 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.450 1.604 1.120 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.343 0.227 2.243 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.039 0.813 3.624 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.556 0.431 4.530 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.443 1.935 4.870 1.00 0.92 H new ATOM 136 N GLU A 10 -4.212 5.394 5.073 1.00 0.38 N ATOM 137 CA GLU A 10 -3.135 6.341 5.339 1.00 0.39 C ATOM 138 C GLU A 10 -2.690 6.199 6.787 1.00 0.38 C ATOM 139 O GLU A 10 -1.545 6.482 7.136 1.00 0.40 O ATOM 140 CB GLU A 10 -3.584 7.763 5.039 1.00 0.46 C ATOM 141 CG GLU A 10 -4.995 8.073 5.492 1.00 0.45 C ATOM 142 CD GLU A 10 -5.058 9.256 6.436 1.00 0.56 C ATOM 143 OE1 GLU A 10 -4.998 10.406 5.952 1.00 1.27 O ATOM 144 OE2 GLU A 10 -5.168 9.033 7.660 1.00 1.16 O ATOM 0 H GLU A 10 -5.059 5.808 4.683 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.290 6.122 4.687 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -2.898 8.459 5.521 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.512 7.937 3.965 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.616 8.276 4.620 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.415 7.197 5.986 1.00 0.45 H new ATOM 151 N ALA A 11 -3.622 5.779 7.631 1.00 0.39 N ATOM 152 CA ALA A 11 -3.314 5.528 9.032 1.00 0.39 C ATOM 153 C ALA A 11 -2.361 4.353 9.106 1.00 0.36 C ATOM 154 O ALA A 11 -1.456 4.310 9.940 1.00 0.39 O ATOM 155 CB ALA A 11 -4.577 5.237 9.826 1.00 0.42 C ATOM 0 H ALA A 11 -4.593 5.606 7.372 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.853 6.414 9.468 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.317 5.053 10.869 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.250 6.092 9.765 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -5.071 4.357 9.415 1.00 0.42 H new ATOM 161 N ALA A 12 -2.585 3.396 8.213 1.00 0.33 N ATOM 162 CA ALA A 12 -1.740 2.223 8.118 1.00 0.33 C ATOM 163 C ALA A 12 -0.364 2.636 7.623 1.00 0.33 C ATOM 164 O ALA A 12 0.647 2.040 7.995 1.00 0.34 O ATOM 165 CB ALA A 12 -2.357 1.188 7.189 1.00 0.34 C ATOM 0 H ALA A 12 -3.353 3.415 7.542 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.646 1.769 9.104 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.706 0.316 7.132 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -3.332 0.889 7.574 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.476 1.617 6.194 1.00 0.34 H new ATOM 171 N ILE A 13 -0.330 3.669 6.774 1.00 0.36 N ATOM 172 CA ILE A 13 0.934 4.170 6.260 1.00 0.40 C ATOM 173 C ILE A 13 1.853 4.518 7.436 1.00 0.39 C ATOM 174 O ILE A 13 3.076 4.550 7.294 1.00 0.42 O ATOM 175 CB ILE A 13 0.745 5.392 5.307 1.00 0.47 C ATOM 176 CG1 ILE A 13 0.445 4.902 3.891 1.00 0.90 C ATOM 177 CG2 ILE A 13 1.969 6.311 5.281 1.00 0.99 C ATOM 178 CD1 ILE A 13 -0.699 3.916 3.823 1.00 2.05 C ATOM 0 H ILE A 13 -1.155 4.164 6.436 1.00 0.36 H new ATOM 0 HA ILE A 13 1.395 3.386 5.659 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.092 5.974 5.692 1.00 0.47 H new ATOM 0 HG12 ILE A 13 0.213 5.760 3.260 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.340 4.436 3.479 1.00 0.90 H new ATOM 0 HG21 ILE A 13 1.784 7.144 4.603 1.00 0.99 H new ATOM 0 HG22 ILE A 13 2.158 6.694 6.284 1.00 0.99 H new ATOM 0 HG23 ILE A 13 2.838 5.750 4.938 1.00 0.99 H new ATOM 0 HD11 ILE A 13 -0.856 3.611 2.788 1.00 2.05 H new ATOM 0 HD12 ILE A 13 -0.461 3.040 4.427 1.00 2.05 H new ATOM 0 HD13 ILE A 13 -1.606 4.384 4.205 1.00 2.05 H new ATOM 190 N GLU A 14 1.246 4.780 8.596 1.00 0.39 N ATOM 191 CA GLU A 14 1.997 5.109 9.797 1.00 0.42 C ATOM 192 C GLU A 14 2.940 3.973 10.167 1.00 0.38 C ATOM 193 O GLU A 14 4.023 4.206 10.703 1.00 0.46 O ATOM 194 CB GLU A 14 1.045 5.400 10.959 1.00 0.46 C ATOM 195 CG GLU A 14 0.143 6.599 10.720 1.00 0.79 C ATOM 196 CD GLU A 14 -0.749 6.903 11.908 1.00 1.46 C ATOM 197 OE1 GLU A 14 -0.308 7.651 12.807 1.00 2.02 O ATOM 198 OE2 GLU A 14 -1.890 6.394 11.940 1.00 2.25 O ATOM 0 H GLU A 14 0.234 4.769 8.723 1.00 0.39 H new ATOM 0 HA GLU A 14 2.589 6.002 9.595 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.427 4.521 11.140 1.00 0.46 H new ATOM 0 HB3 GLU A 14 1.630 5.570 11.863 1.00 0.46 H new ATOM 0 HG2 GLU A 14 0.757 7.472 10.498 1.00 0.79 H new ATOM 0 HG3 GLU A 14 -0.477 6.414 9.843 1.00 0.79 H new ATOM 205 N THR A 15 2.527 2.740 9.883 1.00 0.30 N ATOM 206 CA THR A 15 3.366 1.583 10.186 1.00 0.28 C ATOM 207 C THR A 15 4.484 1.453 9.158 1.00 0.29 C ATOM 208 O THR A 15 5.661 1.621 9.473 1.00 0.35 O ATOM 209 CB THR A 15 2.556 0.273 10.212 1.00 0.28 C ATOM 210 OG1 THR A 15 1.459 0.387 11.125 1.00 0.29 O ATOM 211 CG2 THR A 15 3.437 -0.898 10.622 1.00 0.32 C ATOM 0 H THR A 15 1.631 2.518 9.450 1.00 0.30 H new ATOM 0 HA THR A 15 3.787 1.748 11.178 1.00 0.28 H new ATOM 0 HB THR A 15 2.174 0.092 9.207 1.00 0.28 H new ATOM 0 HG1 THR A 15 0.960 -0.456 11.144 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.844 -1.813 10.634 1.00 0.32 H new ATOM 0 HG22 THR A 15 4.255 -1.005 9.910 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.844 -0.717 11.617 1.00 0.32 H new ATOM 219 N VAL A 16 4.095 1.166 7.924 1.00 0.27 N ATOM 220 CA VAL A 16 5.033 1.012 6.814 1.00 0.28 C ATOM 221 C VAL A 16 6.135 2.071 6.840 1.00 0.30 C ATOM 222 O VAL A 16 7.308 1.766 6.625 1.00 0.36 O ATOM 223 CB VAL A 16 4.279 1.111 5.484 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.563 2.443 5.406 1.00 0.33 C ATOM 225 CG2 VAL A 16 5.221 0.947 4.307 1.00 0.33 C ATOM 0 H VAL A 16 3.119 1.032 7.661 1.00 0.27 H new ATOM 0 HA VAL A 16 5.502 0.033 6.918 1.00 0.28 H new ATOM 0 HB VAL A 16 3.548 0.304 5.438 1.00 0.30 H new ATOM 0 HG11 VAL A 16 3.027 2.513 4.460 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.855 2.525 6.231 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.291 3.252 5.471 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.658 1.022 3.377 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.979 1.730 4.336 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.704 -0.029 4.361 1.00 0.33 H new ATOM 235 N VAL A 17 5.750 3.311 7.109 1.00 0.31 N ATOM 236 CA VAL A 17 6.697 4.414 7.160 1.00 0.33 C ATOM 237 C VAL A 17 7.643 4.249 8.353 1.00 0.30 C ATOM 238 O VAL A 17 8.842 4.506 8.264 1.00 0.32 O ATOM 239 CB VAL A 17 5.972 5.767 7.281 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.239 5.872 8.610 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.954 6.916 7.115 1.00 0.50 C ATOM 0 H VAL A 17 4.783 3.578 7.296 1.00 0.31 H new ATOM 0 HA VAL A 17 7.267 4.400 6.231 1.00 0.33 H new ATOM 0 HB VAL A 17 5.233 5.830 6.482 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.735 6.836 8.672 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.502 5.072 8.683 1.00 0.45 H new ATOM 0 HG13 VAL A 17 5.954 5.783 9.428 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.423 7.864 7.204 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.719 6.855 7.889 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.424 6.854 6.134 1.00 0.50 H new ATOM 251 N SER A 18 7.078 3.838 9.484 1.00 0.33 N ATOM 252 CA SER A 18 7.851 3.643 10.707 1.00 0.40 C ATOM 253 C SER A 18 8.555 2.285 10.742 1.00 0.44 C ATOM 254 O SER A 18 9.406 2.053 11.593 1.00 0.59 O ATOM 255 CB SER A 18 6.943 3.785 11.930 1.00 0.51 C ATOM 256 OG SER A 18 6.386 5.086 12.004 1.00 1.32 O ATOM 0 H SER A 18 6.083 3.633 9.579 1.00 0.33 H new ATOM 0 HA SER A 18 8.623 4.413 10.725 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.143 3.046 11.881 1.00 0.51 H new ATOM 0 HB3 SER A 18 7.513 3.578 12.836 1.00 0.51 H new ATOM 0 HG SER A 18 5.495 5.084 11.595 1.00 1.32 H new ATOM 262 N THR A 19 8.134 1.361 9.886 1.00 0.37 N ATOM 263 CA THR A 19 8.748 0.029 9.836 1.00 0.44 C ATOM 264 C THR A 19 9.977 -0.053 8.923 1.00 0.46 C ATOM 265 O THR A 19 11.117 0.052 9.374 1.00 0.54 O ATOM 266 CB THR A 19 7.740 -1.058 9.414 1.00 0.45 C ATOM 267 OG1 THR A 19 7.197 -0.763 8.122 1.00 0.42 O ATOM 268 CG2 THR A 19 6.614 -1.180 10.432 1.00 0.49 C ATOM 0 H THR A 19 7.375 1.503 9.219 1.00 0.37 H new ATOM 0 HA THR A 19 9.079 -0.153 10.858 1.00 0.44 H new ATOM 0 HB THR A 19 8.271 -2.009 9.368 1.00 0.45 H new ATOM 0 HG1 THR A 19 7.381 -1.508 7.512 1.00 0.42 H new ATOM 0 HG21 THR A 19 5.916 -1.953 10.112 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.029 -1.446 11.404 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.089 -0.228 10.510 1.00 0.49 H new ATOM 276 N PHE A 20 9.712 -0.233 7.632 1.00 0.45 N ATOM 277 CA PHE A 20 10.747 -0.395 6.613 1.00 0.54 C ATOM 278 C PHE A 20 11.325 0.928 6.218 1.00 0.52 C ATOM 279 O PHE A 20 12.532 1.047 6.058 1.00 0.64 O ATOM 280 CB PHE A 20 10.152 -1.103 5.392 1.00 0.60 C ATOM 281 CG PHE A 20 10.959 -1.017 4.122 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.343 -0.985 4.152 1.00 1.60 C ATOM 283 CD2 PHE A 20 10.318 -0.977 2.892 1.00 1.26 C ATOM 284 CE1 PHE A 20 13.073 -0.915 2.979 1.00 1.77 C ATOM 285 CE2 PHE A 20 11.040 -0.909 1.719 1.00 1.37 C ATOM 286 CZ PHE A 20 12.417 -0.877 1.763 1.00 1.18 C ATOM 0 H PHE A 20 8.763 -0.271 7.259 1.00 0.45 H new ATOM 0 HA PHE A 20 11.554 -1.000 7.026 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.011 -2.155 5.639 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.164 -0.686 5.200 1.00 0.60 H new ATOM 0 HD1 PHE A 20 12.858 -1.015 5.101 1.00 1.60 H new ATOM 0 HD2 PHE A 20 9.239 -0.999 2.853 1.00 1.26 H new ATOM 0 HE1 PHE A 20 14.152 -0.890 3.013 1.00 1.77 H new ATOM 0 HE2 PHE A 20 10.528 -0.881 0.769 1.00 1.37 H new ATOM 0 HZ PHE A 20 12.985 -0.822 0.846 1.00 1.18 H new ATOM 296 N PHE A 21 10.471 1.935 6.115 1.00 0.44 N ATOM 297 CA PHE A 21 10.936 3.244 5.727 1.00 0.47 C ATOM 298 C PHE A 21 11.839 3.819 6.805 1.00 0.49 C ATOM 299 O PHE A 21 12.304 4.941 6.733 1.00 0.62 O ATOM 300 CB PHE A 21 9.758 4.139 5.322 1.00 0.48 C ATOM 301 CG PHE A 21 8.894 3.516 4.227 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.263 2.306 3.637 1.00 1.16 C ATOM 303 CD2 PHE A 21 7.695 4.105 3.814 1.00 1.39 C ATOM 304 CE1 PHE A 21 8.469 1.713 2.674 1.00 1.13 C ATOM 305 CE2 PHE A 21 6.897 3.501 2.854 1.00 1.44 C ATOM 306 CZ PHE A 21 7.285 2.306 2.288 1.00 0.54 C ATOM 0 H PHE A 21 9.469 1.867 6.293 1.00 0.44 H new ATOM 0 HA PHE A 21 11.556 3.176 4.833 1.00 0.47 H new ATOM 0 HB2 PHE A 21 9.140 4.338 6.198 1.00 0.48 H new ATOM 0 HB3 PHE A 21 10.139 5.100 4.976 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.183 1.826 3.938 1.00 1.16 H new ATOM 0 HD2 PHE A 21 7.386 5.044 4.249 1.00 1.39 H new ATOM 0 HE1 PHE A 21 8.777 0.782 2.222 1.00 1.13 H new ATOM 0 HE2 PHE A 21 5.971 3.967 2.550 1.00 1.44 H new ATOM 0 HZ PHE A 21 6.662 1.834 1.542 1.00 0.54 H new ATOM 316 N THR A 22 12.042 3.068 7.863 1.00 0.47 N ATOM 317 CA THR A 22 13.039 3.487 8.820 1.00 0.54 C ATOM 318 C THR A 22 14.414 3.461 8.142 1.00 0.49 C ATOM 319 O THR A 22 15.372 4.053 8.642 1.00 0.54 O ATOM 320 CB THR A 22 13.094 2.559 10.026 1.00 0.66 C ATOM 321 OG1 THR A 22 13.350 1.233 9.588 1.00 0.66 O ATOM 322 CG2 THR A 22 11.801 2.619 10.799 1.00 0.81 C ATOM 0 H THR A 22 11.553 2.199 8.078 1.00 0.47 H new ATOM 0 HA THR A 22 12.774 4.488 9.162 1.00 0.54 H new ATOM 0 HB THR A 22 13.898 2.880 10.688 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.535 0.855 9.196 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.859 1.949 11.657 1.00 0.81 H new ATOM 0 HG22 THR A 22 11.631 3.639 11.145 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.977 2.312 10.154 1.00 0.81 H new ATOM 330 N PHE A 23 14.506 2.763 6.989 1.00 0.49 N ATOM 331 CA PHE A 23 15.788 2.629 6.283 1.00 0.51 C ATOM 332 C PHE A 23 16.345 3.935 5.698 1.00 0.44 C ATOM 333 O PHE A 23 17.559 4.051 5.531 1.00 0.45 O ATOM 334 CB PHE A 23 15.762 1.487 5.249 1.00 0.68 C ATOM 335 CG PHE A 23 14.917 1.660 4.004 1.00 0.61 C ATOM 336 CD1 PHE A 23 13.679 2.274 4.050 1.00 1.47 C ATOM 337 CD2 PHE A 23 15.350 1.139 2.785 1.00 1.46 C ATOM 338 CE1 PHE A 23 12.889 2.373 2.921 1.00 1.88 C ATOM 339 CE2 PHE A 23 14.558 1.230 1.653 1.00 1.93 C ATOM 340 CZ PHE A 23 13.324 1.847 1.723 1.00 1.82 C ATOM 0 H PHE A 23 13.721 2.294 6.538 1.00 0.49 H new ATOM 0 HA PHE A 23 16.503 2.357 7.059 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.788 1.304 4.931 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.421 0.586 5.759 1.00 0.68 H new ATOM 0 HD1 PHE A 23 13.324 2.683 4.984 1.00 1.47 H new ATOM 0 HD2 PHE A 23 16.315 0.659 2.723 1.00 1.46 H new ATOM 0 HE1 PHE A 23 11.928 2.864 2.977 1.00 1.88 H new ATOM 0 HE2 PHE A 23 14.905 0.819 0.716 1.00 1.93 H new ATOM 0 HZ PHE A 23 12.702 1.917 0.843 1.00 1.82 H new ATOM 350 N ALA A 24 15.500 4.918 5.382 1.00 0.50 N ATOM 351 CA ALA A 24 16.006 6.202 4.882 1.00 0.58 C ATOM 352 C ALA A 24 17.072 6.743 5.812 1.00 0.60 C ATOM 353 O ALA A 24 17.905 7.556 5.412 1.00 0.65 O ATOM 354 CB ALA A 24 14.875 7.204 4.761 1.00 0.71 C ATOM 0 H ALA A 24 14.485 4.856 5.460 1.00 0.50 H new ATOM 0 HA ALA A 24 16.442 6.040 3.896 1.00 0.58 H new ATOM 0 HB1 ALA A 24 15.266 8.151 4.389 1.00 0.71 H new ATOM 0 HB2 ALA A 24 14.125 6.824 4.068 1.00 0.71 H new ATOM 0 HB3 ALA A 24 14.420 7.359 5.739 1.00 0.71 H new ATOM 360 N GLY A 25 17.033 6.289 7.065 1.00 0.68 N ATOM 361 CA GLY A 25 18.026 6.699 8.046 1.00 0.81 C ATOM 362 C GLY A 25 19.422 6.768 7.446 1.00 0.71 C ATOM 363 O GLY A 25 20.262 7.555 7.883 1.00 0.80 O ATOM 0 H GLY A 25 16.328 5.642 7.418 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.756 7.675 8.450 1.00 0.81 H new ATOM 0 HA3 GLY A 25 18.024 5.997 8.880 1.00 0.81 H new ATOM 367 N ARG A 26 19.658 5.933 6.435 1.00 0.60 N ATOM 368 CA ARG A 26 20.932 5.909 5.732 1.00 0.59 C ATOM 369 C ARG A 26 21.283 7.303 5.234 1.00 0.57 C ATOM 370 O ARG A 26 22.315 7.867 5.597 1.00 0.71 O ATOM 371 CB ARG A 26 20.858 4.949 4.541 1.00 0.61 C ATOM 372 CG ARG A 26 22.143 4.884 3.735 1.00 1.17 C ATOM 373 CD ARG A 26 22.018 3.912 2.575 1.00 0.97 C ATOM 374 NE ARG A 26 23.270 3.782 1.834 1.00 1.55 N ATOM 375 CZ ARG A 26 23.643 4.606 0.858 1.00 1.95 C ATOM 376 NH1 ARG A 26 22.871 5.629 0.514 1.00 2.01 N ATOM 377 NH2 ARG A 26 24.793 4.412 0.229 1.00 2.82 N ATOM 0 H ARG A 26 18.975 5.261 6.085 1.00 0.60 H new ATOM 0 HA ARG A 26 21.703 5.569 6.424 1.00 0.59 H new ATOM 0 HB2 ARG A 26 20.615 3.950 4.904 1.00 0.61 H new ATOM 0 HB3 ARG A 26 20.043 5.257 3.886 1.00 0.61 H new ATOM 0 HG2 ARG A 26 22.388 5.876 3.356 1.00 1.17 H new ATOM 0 HG3 ARG A 26 22.965 4.578 4.382 1.00 1.17 H new ATOM 0 HD2 ARG A 26 21.716 2.935 2.952 1.00 0.97 H new ATOM 0 HD3 ARG A 26 21.231 4.251 1.901 1.00 0.97 H new ATOM 0 HE ARG A 26 23.895 3.014 2.079 1.00 1.55 H new ATOM 0 HH11 ARG A 26 21.987 5.787 0.998 1.00 2.01 H new ATOM 0 HH12 ARG A 26 23.161 6.258 -0.235 1.00 2.01 H new ATOM 0 HH21 ARG A 26 25.393 3.631 0.493 1.00 2.82 H new ATOM 0 HH22 ARG A 26 25.078 5.044 -0.519 1.00 2.82 H new ATOM 391 N GLU A 27 20.405 7.851 4.402 1.00 0.50 N ATOM 392 CA GLU A 27 20.604 9.181 3.842 1.00 0.58 C ATOM 393 C GLU A 27 19.816 10.212 4.638 1.00 0.80 C ATOM 394 O GLU A 27 18.637 10.014 4.929 1.00 1.27 O ATOM 395 CB GLU A 27 20.174 9.208 2.375 1.00 0.98 C ATOM 396 CG GLU A 27 20.890 8.183 1.510 1.00 0.85 C ATOM 397 CD GLU A 27 20.477 8.260 0.053 1.00 1.09 C ATOM 398 OE1 GLU A 27 19.394 7.737 -0.285 1.00 1.78 O ATOM 399 OE2 GLU A 27 21.236 8.843 -0.750 1.00 1.63 O ATOM 0 H GLU A 27 19.546 7.392 4.100 1.00 0.50 H new ATOM 0 HA GLU A 27 21.664 9.428 3.901 1.00 0.58 H new ATOM 0 HB2 GLU A 27 19.100 9.033 2.317 1.00 0.98 H new ATOM 0 HB3 GLU A 27 20.357 10.203 1.970 1.00 0.98 H new ATOM 0 HG2 GLU A 27 21.966 8.336 1.587 1.00 0.85 H new ATOM 0 HG3 GLU A 27 20.682 7.183 1.891 1.00 0.85 H new ATOM 406 N GLY A 28 20.468 11.316 4.988 1.00 1.33 N ATOM 407 CA GLY A 28 19.802 12.348 5.757 1.00 1.88 C ATOM 408 C GLY A 28 19.881 13.713 5.113 1.00 1.36 C ATOM 409 O GLY A 28 20.822 14.470 5.356 1.00 1.58 O ATOM 0 H GLY A 28 21.441 11.513 4.754 1.00 1.33 H new ATOM 0 HA2 GLY A 28 18.755 12.075 5.889 1.00 1.88 H new ATOM 0 HA3 GLY A 28 20.247 12.396 6.751 1.00 1.88 H new ATOM 413 N ARG A 29 18.890 14.029 4.291 1.00 1.16 N ATOM 414 CA ARG A 29 18.842 15.321 3.626 1.00 1.06 C ATOM 415 C ARG A 29 17.397 15.733 3.369 1.00 1.13 C ATOM 416 O ARG A 29 16.469 15.183 3.961 1.00 1.73 O ATOM 417 CB ARG A 29 19.629 15.294 2.307 1.00 1.38 C ATOM 418 CG ARG A 29 18.894 14.631 1.148 1.00 1.78 C ATOM 419 CD ARG A 29 18.725 13.139 1.370 1.00 2.37 C ATOM 420 NE ARG A 29 20.006 12.475 1.585 1.00 2.89 N ATOM 421 CZ ARG A 29 20.833 12.137 0.601 1.00 3.59 C ATOM 422 NH1 ARG A 29 20.513 12.399 -0.659 1.00 3.91 N ATOM 423 NH2 ARG A 29 21.982 11.537 0.876 1.00 4.31 N ATOM 0 H ARG A 29 18.111 13.409 4.070 1.00 1.16 H new ATOM 0 HA ARG A 29 19.307 16.055 4.284 1.00 1.06 H new ATOM 0 HB2 ARG A 29 19.878 16.317 2.026 1.00 1.38 H new ATOM 0 HB3 ARG A 29 20.571 14.771 2.471 1.00 1.38 H new ATOM 0 HG2 ARG A 29 17.915 15.094 1.026 1.00 1.78 H new ATOM 0 HG3 ARG A 29 19.445 14.801 0.223 1.00 1.78 H new ATOM 0 HD2 ARG A 29 18.079 12.971 2.232 1.00 2.37 H new ATOM 0 HD3 ARG A 29 18.227 12.697 0.507 1.00 2.37 H new ATOM 0 HE ARG A 29 20.282 12.258 2.543 1.00 2.89 H new ATOM 0 HH11 ARG A 29 19.630 12.861 -0.875 1.00 3.91 H new ATOM 0 HH12 ARG A 29 21.150 12.138 -1.412 1.00 3.91 H new ATOM 0 HH21 ARG A 29 22.233 11.334 1.844 1.00 4.31 H new ATOM 0 HH22 ARG A 29 22.616 11.278 0.120 1.00 4.31 H new ATOM 437 N LYS A 30 17.215 16.704 2.485 1.00 1.04 N ATOM 438 CA LYS A 30 15.885 17.180 2.144 1.00 1.47 C ATOM 439 C LYS A 30 15.436 16.595 0.809 1.00 1.32 C ATOM 440 O LYS A 30 14.943 17.311 -0.063 1.00 1.64 O ATOM 441 CB LYS A 30 15.862 18.710 2.090 1.00 2.03 C ATOM 442 CG LYS A 30 16.959 19.312 1.227 1.00 2.65 C ATOM 443 CD LYS A 30 16.908 20.831 1.242 1.00 3.51 C ATOM 444 CE LYS A 30 15.598 21.351 0.672 1.00 4.01 C ATOM 445 NZ LYS A 30 15.411 20.949 -0.749 1.00 4.77 N ATOM 0 H LYS A 30 17.973 17.177 1.992 1.00 1.04 H new ATOM 0 HA LYS A 30 15.192 16.850 2.918 1.00 1.47 H new ATOM 0 HB2 LYS A 30 14.894 19.036 1.710 1.00 2.03 H new ATOM 0 HB3 LYS A 30 15.954 19.101 3.103 1.00 2.03 H new ATOM 0 HG2 LYS A 30 17.932 18.976 1.586 1.00 2.65 H new ATOM 0 HG3 LYS A 30 16.856 18.953 0.203 1.00 2.65 H new ATOM 0 HD2 LYS A 30 17.029 21.190 2.264 1.00 3.51 H new ATOM 0 HD3 LYS A 30 17.741 21.230 0.663 1.00 3.51 H new ATOM 0 HE2 LYS A 30 14.768 20.973 1.268 1.00 4.01 H new ATOM 0 HE3 LYS A 30 15.576 22.438 0.747 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 14.630 21.496 -1.165 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 16.285 21.135 -1.280 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 15.187 19.935 -0.796 1.00 4.77 H new ATOM 459 N GLY A 31 15.621 15.287 0.652 1.00 0.95 N ATOM 460 CA GLY A 31 15.228 14.625 -0.574 1.00 0.88 C ATOM 461 C GLY A 31 14.630 13.268 -0.327 1.00 0.80 C ATOM 462 O GLY A 31 13.516 13.167 0.163 1.00 0.85 O ATOM 0 H GLY A 31 16.037 14.675 1.355 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.506 15.246 -1.104 1.00 0.88 H new ATOM 0 HA3 GLY A 31 16.097 14.523 -1.223 1.00 0.88 H new ATOM 466 N SER A 32 15.354 12.215 -0.671 1.00 0.74 N ATOM 467 CA SER A 32 14.831 10.873 -0.476 1.00 0.71 C ATOM 468 C SER A 32 15.876 9.871 -0.054 1.00 0.70 C ATOM 469 O SER A 32 17.066 10.165 0.054 1.00 0.74 O ATOM 470 CB SER A 32 14.124 10.396 -1.744 1.00 0.68 C ATOM 471 OG SER A 32 14.336 9.018 -2.011 1.00 1.10 O ATOM 0 H SER A 32 16.288 12.261 -1.079 1.00 0.74 H new ATOM 0 HA SER A 32 14.120 10.937 0.348 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.054 10.582 -1.649 1.00 0.68 H new ATOM 0 HB3 SER A 32 14.475 10.983 -2.592 1.00 0.68 H new ATOM 0 HG SER A 32 15.023 8.921 -2.704 1.00 1.10 H new ATOM 477 N LEU A 33 15.377 8.674 0.179 1.00 0.72 N ATOM 478 CA LEU A 33 16.186 7.550 0.540 1.00 0.74 C ATOM 479 C LEU A 33 16.502 6.746 -0.698 1.00 0.56 C ATOM 480 O LEU A 33 15.805 6.837 -1.709 1.00 0.52 O ATOM 481 CB LEU A 33 15.472 6.669 1.562 1.00 0.99 C ATOM 482 CG LEU A 33 15.701 5.143 1.424 1.00 1.19 C ATOM 483 CD1 LEU A 33 15.312 4.416 2.677 1.00 1.93 C ATOM 484 CD2 LEU A 33 14.921 4.582 0.240 1.00 1.69 C ATOM 0 H LEU A 33 14.381 8.462 0.119 1.00 0.72 H new ATOM 0 HA LEU A 33 17.109 7.913 0.991 1.00 0.74 H new ATOM 0 HB2 LEU A 33 15.789 6.975 2.559 1.00 0.99 H new ATOM 0 HB3 LEU A 33 14.402 6.863 1.494 1.00 0.99 H new ATOM 0 HG LEU A 33 16.766 4.989 1.252 1.00 1.19 H new ATOM 0 HD11 LEU A 33 15.485 3.348 2.546 1.00 1.93 H new ATOM 0 HD12 LEU A 33 15.911 4.782 3.511 1.00 1.93 H new ATOM 0 HD13 LEU A 33 14.256 4.590 2.886 1.00 1.93 H new ATOM 0 HD21 LEU A 33 15.098 3.509 0.163 1.00 1.69 H new ATOM 0 HD22 LEU A 33 13.856 4.765 0.386 1.00 1.69 H new ATOM 0 HD23 LEU A 33 15.251 5.070 -0.677 1.00 1.69 H new ATOM 496 N ASN A 34 17.554 5.964 -0.618 1.00 0.57 N ATOM 497 CA ASN A 34 17.944 5.153 -1.727 1.00 0.47 C ATOM 498 C ASN A 34 17.670 3.686 -1.441 1.00 0.41 C ATOM 499 O ASN A 34 17.211 3.323 -0.358 1.00 0.56 O ATOM 500 CB ASN A 34 19.415 5.370 -1.987 1.00 0.56 C ATOM 501 CG ASN A 34 19.691 6.643 -2.762 1.00 1.37 C ATOM 502 OD1 ASN A 34 18.942 7.616 -2.667 1.00 2.12 O ATOM 503 ND2 ASN A 34 20.768 6.642 -3.539 1.00 2.11 N ATOM 0 H ASN A 34 18.149 5.879 0.206 1.00 0.57 H new ATOM 0 HA ASN A 34 17.365 5.435 -2.607 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.946 5.406 -1.036 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.811 4.519 -2.541 1.00 0.56 H new ATOM 0 HD21 ASN A 34 21.002 7.470 -4.087 1.00 2.11 H new ATOM 0 HD22 ASN A 34 21.361 5.814 -3.588 1.00 2.11 H new ATOM 510 N ILE A 35 18.014 2.837 -2.387 1.00 0.54 N ATOM 511 CA ILE A 35 17.765 1.425 -2.233 1.00 0.54 C ATOM 512 C ILE A 35 18.990 0.685 -1.733 1.00 0.56 C ATOM 513 O ILE A 35 19.168 -0.504 -1.993 1.00 0.63 O ATOM 514 CB ILE A 35 17.265 0.769 -3.529 1.00 0.60 C ATOM 515 CG1 ILE A 35 17.955 1.397 -4.737 1.00 0.70 C ATOM 516 CG2 ILE A 35 15.751 0.888 -3.620 1.00 0.66 C ATOM 517 CD1 ILE A 35 19.463 1.365 -4.633 1.00 1.05 C ATOM 0 H ILE A 35 18.464 3.101 -3.264 1.00 0.54 H new ATOM 0 HA ILE A 35 16.976 1.348 -1.485 1.00 0.54 H new ATOM 0 HB ILE A 35 17.517 -0.291 -3.520 1.00 0.60 H new ATOM 0 HG12 ILE A 35 17.646 0.870 -5.640 1.00 0.70 H new ATOM 0 HG13 ILE A 35 17.624 2.430 -4.842 1.00 0.70 H new ATOM 0 HG21 ILE A 35 15.404 0.421 -4.542 1.00 0.66 H new ATOM 0 HG22 ILE A 35 15.295 0.388 -2.766 1.00 0.66 H new ATOM 0 HG23 ILE A 35 15.468 1.941 -3.618 1.00 0.66 H new ATOM 0 HD11 ILE A 35 19.899 1.825 -5.520 1.00 1.05 H new ATOM 0 HD12 ILE A 35 19.778 1.915 -3.747 1.00 1.05 H new ATOM 0 HD13 ILE A 35 19.801 0.331 -4.557 1.00 1.05 H new ATOM 529 N ASN A 36 19.824 1.404 -1.003 1.00 0.59 N ATOM 530 CA ASN A 36 21.016 0.827 -0.419 1.00 0.63 C ATOM 531 C ASN A 36 20.600 -0.050 0.732 1.00 0.59 C ATOM 532 O ASN A 36 20.898 -1.241 0.758 1.00 0.59 O ATOM 533 CB ASN A 36 21.947 1.924 0.069 1.00 0.70 C ATOM 534 CG ASN A 36 22.670 2.622 -1.067 1.00 1.33 C ATOM 535 OD1 ASN A 36 23.748 2.199 -1.486 1.00 2.15 O ATOM 536 ND2 ASN A 36 22.080 3.699 -1.569 1.00 1.89 N ATOM 0 H ASN A 36 19.694 2.395 -0.801 1.00 0.59 H new ATOM 0 HA ASN A 36 21.549 0.238 -1.165 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.373 2.658 0.635 1.00 0.70 H new ATOM 0 HB3 ASN A 36 22.680 1.496 0.753 1.00 0.70 H new ATOM 0 HD21 ASN A 36 22.520 4.212 -2.333 1.00 1.89 H new ATOM 0 HD22 ASN A 36 21.187 4.014 -1.191 1.00 1.89 H new ATOM 543 N GLU A 37 19.905 0.542 1.694 1.00 0.57 N ATOM 544 CA GLU A 37 19.414 -0.233 2.805 1.00 0.56 C ATOM 545 C GLU A 37 18.423 -1.225 2.274 1.00 0.50 C ATOM 546 O GLU A 37 18.332 -2.329 2.772 1.00 0.52 O ATOM 547 CB GLU A 37 18.763 0.624 3.871 1.00 0.66 C ATOM 548 CG GLU A 37 19.720 1.578 4.557 1.00 0.75 C ATOM 549 CD GLU A 37 19.290 1.916 5.972 1.00 0.76 C ATOM 550 OE1 GLU A 37 18.326 1.291 6.462 1.00 1.29 O ATOM 551 OE2 GLU A 37 19.918 2.799 6.592 1.00 1.40 O ATOM 0 H GLU A 37 19.676 1.536 1.721 1.00 0.57 H new ATOM 0 HA GLU A 37 20.259 -0.731 3.280 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.954 1.198 3.419 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.312 -0.026 4.621 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.716 1.135 4.580 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.793 2.496 3.974 1.00 0.75 H new ATOM 558 N PHE A 38 17.671 -0.831 1.246 1.00 0.46 N ATOM 559 CA PHE A 38 16.726 -1.736 0.627 1.00 0.42 C ATOM 560 C PHE A 38 17.401 -3.083 0.402 1.00 0.45 C ATOM 561 O PHE A 38 16.779 -4.128 0.487 1.00 0.45 O ATOM 562 CB PHE A 38 16.248 -1.148 -0.699 1.00 0.43 C ATOM 563 CG PHE A 38 14.996 -1.781 -1.237 1.00 0.41 C ATOM 564 CD1 PHE A 38 14.967 -3.125 -1.557 1.00 1.21 C ATOM 565 CD2 PHE A 38 13.848 -1.028 -1.415 1.00 1.30 C ATOM 566 CE1 PHE A 38 13.813 -3.710 -2.047 1.00 1.21 C ATOM 567 CE2 PHE A 38 12.692 -1.605 -1.901 1.00 1.32 C ATOM 568 CZ PHE A 38 12.674 -2.949 -2.218 1.00 0.45 C ATOM 0 H PHE A 38 17.703 0.101 0.834 1.00 0.46 H new ATOM 0 HA PHE A 38 15.862 -1.875 1.276 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.075 -0.080 -0.569 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.042 -1.254 -1.438 1.00 0.43 H new ATOM 0 HD1 PHE A 38 15.855 -3.725 -1.423 1.00 1.21 H new ATOM 0 HD2 PHE A 38 13.857 0.024 -1.171 1.00 1.30 H new ATOM 0 HE1 PHE A 38 13.803 -4.761 -2.295 1.00 1.21 H new ATOM 0 HE2 PHE A 38 11.803 -1.006 -2.033 1.00 1.32 H new ATOM 0 HZ PHE A 38 11.771 -3.403 -2.599 1.00 0.45 H new ATOM 578 N LYS A 39 18.710 -3.032 0.173 1.00 0.49 N ATOM 579 CA LYS A 39 19.499 -4.229 -0.047 1.00 0.53 C ATOM 580 C LYS A 39 19.467 -5.174 1.133 1.00 0.53 C ATOM 581 O LYS A 39 19.872 -6.333 1.043 1.00 0.56 O ATOM 582 CB LYS A 39 20.900 -3.841 -0.429 1.00 0.61 C ATOM 583 CG LYS A 39 20.881 -2.938 -1.633 1.00 0.67 C ATOM 584 CD LYS A 39 22.205 -2.991 -2.365 1.00 0.71 C ATOM 585 CE LYS A 39 23.302 -2.330 -1.543 1.00 1.47 C ATOM 586 NZ LYS A 39 24.614 -2.329 -2.247 1.00 1.80 N ATOM 0 H LYS A 39 19.246 -2.165 0.136 1.00 0.49 H new ATOM 0 HA LYS A 39 19.053 -4.786 -0.871 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.385 -3.335 0.406 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.486 -4.734 -0.645 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.077 -3.237 -2.305 1.00 0.67 H new ATOM 0 HG3 LYS A 39 20.673 -1.914 -1.322 1.00 0.67 H new ATOM 0 HD2 LYS A 39 22.472 -4.028 -2.569 1.00 0.71 H new ATOM 0 HD3 LYS A 39 22.114 -2.490 -3.328 1.00 0.71 H new ATOM 0 HE2 LYS A 39 23.014 -1.304 -1.315 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.404 -2.851 -0.591 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.329 -1.869 -1.648 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 24.904 -3.309 -2.442 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 24.527 -1.809 -3.143 1.00 1.80 H new ATOM 600 N GLU A 40 19.038 -4.648 2.244 1.00 0.52 N ATOM 601 CA GLU A 40 18.854 -5.438 3.444 1.00 0.56 C ATOM 602 C GLU A 40 17.480 -6.132 3.374 1.00 0.54 C ATOM 603 O GLU A 40 17.114 -6.903 4.261 1.00 0.60 O ATOM 604 CB GLU A 40 18.990 -4.564 4.710 1.00 0.60 C ATOM 605 CG GLU A 40 17.717 -3.848 5.159 1.00 1.09 C ATOM 606 CD GLU A 40 17.787 -3.405 6.607 1.00 1.91 C ATOM 607 OE1 GLU A 40 17.536 -4.244 7.497 1.00 2.43 O ATOM 608 OE2 GLU A 40 18.096 -2.221 6.850 1.00 2.62 O ATOM 0 H GLU A 40 18.804 -3.661 2.352 1.00 0.52 H new ATOM 0 HA GLU A 40 19.632 -6.198 3.506 1.00 0.56 H new ATOM 0 HB2 GLU A 40 19.339 -5.194 5.528 1.00 0.60 H new ATOM 0 HB3 GLU A 40 19.762 -3.816 4.532 1.00 0.60 H new ATOM 0 HG2 GLU A 40 17.548 -2.979 4.523 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.863 -4.512 5.025 1.00 1.09 H new ATOM 615 N LEU A 41 16.727 -5.840 2.296 1.00 0.49 N ATOM 616 CA LEU A 41 15.394 -6.395 2.083 1.00 0.50 C ATOM 617 C LEU A 41 15.436 -7.810 1.523 1.00 0.55 C ATOM 618 O LEU A 41 15.616 -8.746 2.283 1.00 0.62 O ATOM 619 CB LEU A 41 14.580 -5.487 1.145 1.00 0.46 C ATOM 620 CG LEU A 41 14.354 -4.033 1.578 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.866 -3.719 1.564 1.00 0.55 C ATOM 622 CD2 LEU A 41 14.949 -3.733 2.953 1.00 0.66 C ATOM 0 H LEU A 41 17.034 -5.212 1.553 1.00 0.49 H new ATOM 0 HA LEU A 41 14.911 -6.443 3.059 1.00 0.50 H new ATOM 0 HB2 LEU A 41 15.078 -5.474 0.175 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.604 -5.948 0.996 1.00 0.46 H new ATOM 0 HG LEU A 41 14.872 -3.393 0.864 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.709 -2.685 1.872 1.00 0.55 H new ATOM 0 HD12 LEU A 41 12.474 -3.861 0.557 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.347 -4.386 2.253 1.00 0.55 H new ATOM 0 HD21 LEU A 41 14.761 -2.691 3.211 1.00 0.66 H new ATOM 0 HD22 LEU A 41 14.487 -4.381 3.698 1.00 0.66 H new ATOM 0 HD23 LEU A 41 16.024 -3.913 2.932 1.00 0.66 H new ATOM 634 N ALA A 42 15.290 -7.966 0.192 1.00 0.55 N ATOM 635 CA ALA A 42 15.276 -9.273 -0.445 1.00 0.61 C ATOM 636 C ALA A 42 16.257 -10.233 0.201 1.00 0.67 C ATOM 637 O ALA A 42 16.037 -11.434 0.219 1.00 0.74 O ATOM 638 CB ALA A 42 15.561 -9.122 -1.922 1.00 0.65 C ATOM 0 H ALA A 42 15.180 -7.187 -0.457 1.00 0.55 H new ATOM 0 HA ALA A 42 14.283 -9.703 -0.312 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.550 -10.103 -2.397 1.00 0.65 H new ATOM 0 HB2 ALA A 42 14.798 -8.490 -2.377 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.541 -8.664 -2.059 1.00 0.65 H new ATOM 644 N THR A 43 17.335 -9.696 0.738 1.00 0.66 N ATOM 645 CA THR A 43 18.317 -10.496 1.415 1.00 0.73 C ATOM 646 C THR A 43 17.708 -11.141 2.668 1.00 0.78 C ATOM 647 O THR A 43 17.700 -12.364 2.805 1.00 0.86 O ATOM 648 CB THR A 43 19.517 -9.613 1.785 1.00 0.72 C ATOM 649 OG1 THR A 43 19.060 -8.321 2.221 1.00 0.66 O ATOM 650 CG2 THR A 43 20.446 -9.448 0.592 1.00 0.75 C ATOM 0 H THR A 43 17.547 -8.699 0.714 1.00 0.66 H new ATOM 0 HA THR A 43 18.653 -11.297 0.756 1.00 0.73 H new ATOM 0 HB THR A 43 20.064 -10.097 2.594 1.00 0.72 H new ATOM 0 HG1 THR A 43 19.278 -7.650 1.540 1.00 0.66 H new ATOM 0 HG21 THR A 43 21.291 -8.819 0.873 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.810 -10.426 0.277 1.00 0.75 H new ATOM 0 HG23 THR A 43 19.903 -8.981 -0.230 1.00 0.75 H new ATOM 658 N GLN A 44 17.219 -10.310 3.589 1.00 0.77 N ATOM 659 CA GLN A 44 16.582 -10.785 4.808 1.00 0.85 C ATOM 660 C GLN A 44 15.127 -11.164 4.558 1.00 0.85 C ATOM 661 O GLN A 44 14.524 -11.902 5.337 1.00 0.94 O ATOM 662 CB GLN A 44 16.669 -9.719 5.901 1.00 0.88 C ATOM 663 CG GLN A 44 18.078 -9.201 6.132 1.00 1.54 C ATOM 664 CD GLN A 44 18.123 -8.043 7.111 1.00 2.05 C ATOM 665 OE1 GLN A 44 17.287 -7.943 8.010 1.00 2.54 O ATOM 666 NE2 GLN A 44 19.100 -7.161 6.939 1.00 2.75 N ATOM 0 H GLN A 44 17.255 -9.294 3.508 1.00 0.77 H new ATOM 0 HA GLN A 44 17.112 -11.678 5.139 1.00 0.85 H new ATOM 0 HB2 GLN A 44 16.022 -8.883 5.634 1.00 0.88 H new ATOM 0 HB3 GLN A 44 16.286 -10.134 6.833 1.00 0.88 H new ATOM 0 HG2 GLN A 44 18.702 -10.012 6.506 1.00 1.54 H new ATOM 0 HG3 GLN A 44 18.505 -8.884 5.180 1.00 1.54 H new ATOM 0 HE21 GLN A 44 19.770 -7.284 6.180 1.00 2.75 H new ATOM 0 HE22 GLN A 44 19.180 -6.360 7.566 1.00 2.75 H new ATOM 675 N GLN A 45 14.561 -10.619 3.490 1.00 0.78 N ATOM 676 CA GLN A 45 13.198 -10.919 3.094 1.00 0.83 C ATOM 677 C GLN A 45 13.177 -12.223 2.319 1.00 0.79 C ATOM 678 O GLN A 45 12.197 -12.961 2.360 1.00 0.80 O ATOM 679 CB GLN A 45 12.629 -9.802 2.231 1.00 0.93 C ATOM 680 CG GLN A 45 12.520 -8.470 2.947 1.00 0.97 C ATOM 681 CD GLN A 45 11.379 -7.615 2.433 1.00 1.36 C ATOM 682 OE1 GLN A 45 10.889 -6.751 3.157 1.00 2.34 O ATOM 683 NE2 GLN A 45 10.950 -7.851 1.182 1.00 1.43 N ATOM 0 H GLN A 45 15.036 -9.957 2.876 1.00 0.78 H new ATOM 0 HA GLN A 45 12.584 -11.009 3.990 1.00 0.83 H new ATOM 0 HB2 GLN A 45 13.259 -9.680 1.350 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.641 -10.096 1.878 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.383 -8.647 4.014 1.00 0.97 H new ATOM 0 HG3 GLN A 45 13.456 -7.924 2.832 1.00 0.97 H new ATOM 0 HE21 GLN A 45 11.390 -8.580 0.621 1.00 1.43 H new ATOM 0 HE22 GLN A 45 10.184 -7.301 0.793 1.00 1.43 H new ATOM 692 N LEU A 46 14.301 -12.507 1.635 1.00 0.78 N ATOM 693 CA LEU A 46 14.474 -13.726 0.836 1.00 0.78 C ATOM 694 C LEU A 46 13.770 -14.872 1.523 1.00 0.74 C ATOM 695 O LEU A 46 12.985 -15.590 0.907 1.00 0.75 O ATOM 696 CB LEU A 46 15.970 -14.055 0.686 1.00 0.83 C ATOM 697 CG LEU A 46 16.538 -14.017 -0.739 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.891 -14.710 -0.782 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.577 -14.668 -1.722 1.00 1.30 C ATOM 0 H LEU A 46 15.115 -11.893 1.624 1.00 0.78 H new ATOM 0 HA LEU A 46 14.048 -13.570 -0.155 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.537 -13.354 1.298 1.00 0.83 H new ATOM 0 HB3 LEU A 46 16.144 -15.050 1.097 1.00 0.83 H new ATOM 0 HG LEU A 46 16.667 -12.975 -1.031 1.00 1.04 H new ATOM 0 HD11 LEU A 46 18.285 -14.677 -1.798 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.581 -14.202 -0.109 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.778 -15.748 -0.470 1.00 1.25 H new ATOM 0 HD21 LEU A 46 16.001 -14.629 -2.725 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.414 -15.707 -1.437 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.626 -14.135 -1.709 1.00 1.30 H new ATOM 711 N PRO A 47 14.078 -15.098 2.802 1.00 0.78 N ATOM 712 CA PRO A 47 13.378 -16.106 3.545 1.00 0.80 C ATOM 713 C PRO A 47 12.146 -15.506 4.219 1.00 0.77 C ATOM 714 O PRO A 47 12.215 -15.030 5.352 1.00 0.81 O ATOM 715 CB PRO A 47 14.425 -16.466 4.597 1.00 0.90 C ATOM 716 CG PRO A 47 15.107 -15.168 4.891 1.00 0.95 C ATOM 717 CD PRO A 47 15.054 -14.368 3.610 1.00 0.90 C ATOM 0 HA PRO A 47 13.020 -16.945 2.948 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.964 -16.886 5.491 1.00 0.90 H new ATOM 0 HB3 PRO A 47 15.128 -17.210 4.222 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.606 -14.639 5.702 1.00 0.95 H new ATOM 0 HG3 PRO A 47 16.138 -15.332 5.206 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.740 -13.340 3.790 1.00 0.90 H new ATOM 0 HD3 PRO A 47 16.028 -14.323 3.122 1.00 0.90 H new ATOM 725 N HIS A 48 11.029 -15.524 3.516 1.00 0.73 N ATOM 726 CA HIS A 48 9.750 -15.088 4.071 1.00 0.74 C ATOM 727 C HIS A 48 8.975 -16.320 4.498 1.00 0.83 C ATOM 728 O HIS A 48 9.568 -17.336 4.861 1.00 0.91 O ATOM 729 CB HIS A 48 8.970 -14.209 3.075 1.00 0.73 C ATOM 730 CG HIS A 48 8.247 -13.075 3.728 1.00 0.98 C ATOM 731 ND1 HIS A 48 8.865 -11.894 4.079 1.00 1.87 N ATOM 732 CD2 HIS A 48 6.949 -12.940 4.087 1.00 1.34 C ATOM 733 CE1 HIS A 48 7.978 -11.083 4.627 1.00 2.04 C ATOM 734 NE2 HIS A 48 6.808 -11.693 4.642 1.00 1.61 N ATOM 0 H HIS A 48 10.977 -15.839 2.547 1.00 0.73 H new ATOM 0 HA HIS A 48 9.916 -14.456 4.943 1.00 0.74 H new ATOM 0 HB2 HIS A 48 9.662 -13.811 2.333 1.00 0.73 H new ATOM 0 HB3 HIS A 48 8.251 -14.829 2.539 1.00 0.73 H new ATOM 0 HD2 HIS A 48 6.169 -13.677 3.960 1.00 1.34 H new ATOM 0 HE1 HIS A 48 8.177 -10.089 5.000 1.00 2.04 H new ATOM 0 HE2 HIS A 48 5.940 -11.301 5.007 1.00 1.61 H new ATOM 743 N LEU A 49 7.654 -16.241 4.459 1.00 0.88 N ATOM 744 CA LEU A 49 6.842 -17.409 4.735 1.00 1.00 C ATOM 745 C LEU A 49 6.805 -18.228 3.445 1.00 0.98 C ATOM 746 O LEU A 49 7.656 -19.090 3.226 1.00 1.02 O ATOM 747 CB LEU A 49 5.434 -17.017 5.195 1.00 1.10 C ATOM 748 CG LEU A 49 5.355 -16.416 6.599 1.00 1.62 C ATOM 749 CD1 LEU A 49 3.910 -16.118 6.971 1.00 2.02 C ATOM 750 CD2 LEU A 49 5.986 -17.356 7.615 1.00 2.44 C ATOM 0 H LEU A 49 7.130 -15.393 4.242 1.00 0.88 H new ATOM 0 HA LEU A 49 7.267 -17.994 5.551 1.00 1.00 H new ATOM 0 HB2 LEU A 49 5.023 -16.299 4.485 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.797 -17.901 5.158 1.00 1.10 H new ATOM 0 HG LEU A 49 5.911 -15.478 6.606 1.00 1.62 H new ATOM 0 HD11 LEU A 49 3.873 -15.691 7.973 1.00 2.02 H new ATOM 0 HD12 LEU A 49 3.490 -15.408 6.258 1.00 2.02 H new ATOM 0 HD13 LEU A 49 3.331 -17.041 6.948 1.00 2.02 H new ATOM 0 HD21 LEU A 49 5.922 -16.914 8.609 1.00 2.44 H new ATOM 0 HD22 LEU A 49 5.457 -18.309 7.607 1.00 2.44 H new ATOM 0 HD23 LEU A 49 7.032 -17.520 7.358 1.00 2.44 H new ATOM 762 N LEU A 50 5.814 -17.960 2.589 1.00 0.98 N ATOM 763 CA LEU A 50 5.715 -18.620 1.287 1.00 1.01 C ATOM 764 C LEU A 50 6.525 -17.858 0.223 1.00 0.92 C ATOM 765 O LEU A 50 6.230 -17.949 -0.968 1.00 1.01 O ATOM 766 CB LEU A 50 4.257 -18.719 0.844 1.00 1.11 C ATOM 767 CG LEU A 50 3.621 -17.397 0.412 1.00 1.60 C ATOM 768 CD1 LEU A 50 2.815 -17.589 -0.861 1.00 1.97 C ATOM 769 CD2 LEU A 50 2.747 -16.840 1.524 1.00 2.25 C ATOM 0 H LEU A 50 5.069 -17.289 2.776 1.00 0.98 H new ATOM 0 HA LEU A 50 6.126 -19.624 1.391 1.00 1.01 H new ATOM 0 HB2 LEU A 50 4.192 -19.424 0.015 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.672 -19.136 1.664 1.00 1.11 H new ATOM 0 HG LEU A 50 4.415 -16.678 0.210 1.00 1.60 H new ATOM 0 HD11 LEU A 50 2.369 -16.639 -1.156 1.00 1.97 H new ATOM 0 HD12 LEU A 50 3.470 -17.944 -1.656 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.027 -18.321 -0.686 1.00 1.97 H new ATOM 0 HD21 LEU A 50 2.302 -15.899 1.200 1.00 2.25 H new ATOM 0 HD22 LEU A 50 1.957 -17.554 1.758 1.00 2.25 H new ATOM 0 HD23 LEU A 50 3.355 -16.667 2.412 1.00 2.25 H new ATOM 781 N LYS A 51 7.544 -17.111 0.657 1.00 0.85 N ATOM 782 CA LYS A 51 8.365 -16.299 -0.237 1.00 0.81 C ATOM 783 C LYS A 51 8.659 -16.984 -1.555 1.00 0.88 C ATOM 784 O LYS A 51 8.521 -18.198 -1.704 1.00 1.03 O ATOM 785 CB LYS A 51 9.692 -15.959 0.439 1.00 0.97 C ATOM 786 CG LYS A 51 10.365 -14.690 -0.082 1.00 1.23 C ATOM 787 CD LYS A 51 9.458 -13.482 -0.026 1.00 2.11 C ATOM 788 CE LYS A 51 10.251 -12.225 0.295 1.00 2.68 C ATOM 789 NZ LYS A 51 11.503 -12.151 -0.506 1.00 3.58 N ATOM 0 H LYS A 51 7.820 -17.054 1.637 1.00 0.85 H new ATOM 0 HA LYS A 51 7.790 -15.397 -0.448 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.522 -15.850 1.510 1.00 0.97 H new ATOM 0 HB3 LYS A 51 10.376 -16.797 0.308 1.00 0.97 H new ATOM 0 HG2 LYS A 51 11.262 -14.493 0.505 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.686 -14.851 -1.111 1.00 1.23 H new ATOM 0 HD2 LYS A 51 8.947 -13.361 -0.981 1.00 2.11 H new ATOM 0 HD3 LYS A 51 8.688 -13.635 0.730 1.00 2.11 H new ATOM 0 HE2 LYS A 51 9.638 -11.346 0.096 1.00 2.68 H new ATOM 0 HE3 LYS A 51 10.496 -12.209 1.357 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 11.704 -11.159 -0.745 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 12.293 -12.541 0.047 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 11.388 -12.702 -1.381 1.00 3.58 H new ATOM 803 N ASP A 52 9.077 -16.167 -2.502 1.00 0.92 N ATOM 804 CA ASP A 52 9.434 -16.628 -3.829 1.00 1.17 C ATOM 805 C ASP A 52 10.951 -16.633 -3.997 1.00 1.23 C ATOM 806 O ASP A 52 11.457 -16.792 -5.109 1.00 1.47 O ATOM 807 CB ASP A 52 8.797 -15.723 -4.888 1.00 1.29 C ATOM 808 CG ASP A 52 9.156 -16.142 -6.301 1.00 1.87 C ATOM 809 OD1 ASP A 52 8.453 -17.011 -6.859 1.00 2.35 O ATOM 810 OD2 ASP A 52 10.139 -15.601 -6.849 1.00 2.61 O ATOM 0 H ASP A 52 9.179 -15.160 -2.372 1.00 0.92 H new ATOM 0 HA ASP A 52 9.062 -17.644 -3.957 1.00 1.17 H new ATOM 0 HB2 ASP A 52 7.713 -15.740 -4.772 1.00 1.29 H new ATOM 0 HB3 ASP A 52 9.119 -14.695 -4.724 1.00 1.29 H new ATOM 815 N VAL A 53 11.685 -16.461 -2.888 1.00 1.13 N ATOM 816 CA VAL A 53 13.133 -16.429 -2.937 1.00 1.26 C ATOM 817 C VAL A 53 13.607 -15.493 -4.041 1.00 1.24 C ATOM 818 O VAL A 53 14.055 -15.936 -5.099 1.00 1.48 O ATOM 819 CB VAL A 53 13.699 -17.842 -3.154 1.00 1.57 C ATOM 820 CG1 VAL A 53 15.213 -17.812 -3.331 1.00 2.17 C ATOM 821 CG2 VAL A 53 13.312 -18.750 -1.997 1.00 1.91 C ATOM 0 H VAL A 53 11.291 -16.343 -1.955 1.00 1.13 H new ATOM 0 HA VAL A 53 13.500 -16.054 -1.982 1.00 1.26 H new ATOM 0 HB VAL A 53 13.266 -18.241 -4.072 1.00 1.57 H new ATOM 0 HG11 VAL A 53 15.582 -18.826 -3.482 1.00 2.17 H new ATOM 0 HG12 VAL A 53 15.466 -17.201 -4.197 1.00 2.17 H new ATOM 0 HG13 VAL A 53 15.675 -17.387 -2.440 1.00 2.17 H new ATOM 0 HG21 VAL A 53 13.720 -19.747 -2.165 1.00 1.91 H new ATOM 0 HG22 VAL A 53 13.713 -18.346 -1.067 1.00 1.91 H new ATOM 0 HG23 VAL A 53 12.226 -18.809 -1.928 1.00 1.91 H new ATOM 831 N GLY A 54 13.477 -14.190 -3.791 1.00 1.06 N ATOM 832 CA GLY A 54 13.889 -13.192 -4.764 1.00 1.11 C ATOM 833 C GLY A 54 15.189 -13.556 -5.469 1.00 1.14 C ATOM 834 O GLY A 54 16.231 -13.690 -4.829 1.00 1.24 O ATOM 0 H GLY A 54 13.092 -13.808 -2.927 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.101 -13.068 -5.507 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.009 -12.231 -4.263 1.00 1.11 H new ATOM 838 N SER A 55 15.115 -13.731 -6.786 1.00 1.18 N ATOM 839 CA SER A 55 16.283 -14.097 -7.587 1.00 1.25 C ATOM 840 C SER A 55 17.452 -13.146 -7.331 1.00 1.11 C ATOM 841 O SER A 55 17.402 -12.321 -6.429 1.00 1.10 O ATOM 842 CB SER A 55 15.918 -14.092 -9.072 1.00 1.41 C ATOM 843 OG SER A 55 16.881 -14.794 -9.838 1.00 1.61 O ATOM 0 H SER A 55 14.255 -13.625 -7.324 1.00 1.18 H new ATOM 0 HA SER A 55 16.595 -15.099 -7.294 1.00 1.25 H new ATOM 0 HB2 SER A 55 14.937 -14.547 -9.210 1.00 1.41 H new ATOM 0 HB3 SER A 55 15.845 -13.064 -9.428 1.00 1.41 H new ATOM 0 HG SER A 55 16.623 -14.777 -10.783 1.00 1.61 H new ATOM 849 N LEU A 56 18.510 -13.271 -8.121 1.00 1.15 N ATOM 850 CA LEU A 56 19.682 -12.414 -7.956 1.00 1.10 C ATOM 851 C LEU A 56 19.472 -11.051 -8.609 1.00 0.98 C ATOM 852 O LEU A 56 19.335 -10.042 -7.922 1.00 0.97 O ATOM 853 CB LEU A 56 20.923 -13.089 -8.543 1.00 1.28 C ATOM 854 CG LEU A 56 21.355 -14.381 -7.846 1.00 2.03 C ATOM 855 CD1 LEU A 56 21.648 -14.120 -6.378 1.00 2.61 C ATOM 856 CD2 LEU A 56 20.287 -15.454 -7.995 1.00 2.83 C ATOM 0 H LEU A 56 18.584 -13.951 -8.878 1.00 1.15 H new ATOM 0 HA LEU A 56 19.830 -12.259 -6.887 1.00 1.10 H new ATOM 0 HB2 LEU A 56 20.735 -13.308 -9.594 1.00 1.28 H new ATOM 0 HB3 LEU A 56 21.752 -12.382 -8.508 1.00 1.28 H new ATOM 0 HG LEU A 56 22.268 -14.739 -8.322 1.00 2.03 H new ATOM 0 HD11 LEU A 56 21.954 -15.049 -5.897 1.00 2.61 H new ATOM 0 HD12 LEU A 56 22.449 -13.386 -6.292 1.00 2.61 H new ATOM 0 HD13 LEU A 56 20.751 -13.737 -5.890 1.00 2.61 H new ATOM 0 HD21 LEU A 56 20.613 -16.365 -7.493 1.00 2.83 H new ATOM 0 HD22 LEU A 56 19.356 -15.106 -7.547 1.00 2.83 H new ATOM 0 HD23 LEU A 56 20.125 -15.661 -9.053 1.00 2.83 H new ATOM 868 N ASP A 57 19.452 -11.022 -9.936 1.00 1.00 N ATOM 869 CA ASP A 57 19.261 -9.771 -10.659 1.00 1.01 C ATOM 870 C ASP A 57 17.958 -9.117 -10.265 1.00 0.95 C ATOM 871 O ASP A 57 17.855 -7.895 -10.218 1.00 0.96 O ATOM 872 CB ASP A 57 19.241 -9.995 -12.161 1.00 1.15 C ATOM 873 CG ASP A 57 20.609 -9.839 -12.796 1.00 1.69 C ATOM 874 OD1 ASP A 57 21.020 -8.688 -13.048 1.00 2.48 O ATOM 875 OD2 ASP A 57 21.270 -10.871 -13.042 1.00 2.20 O ATOM 0 H ASP A 57 19.565 -11.844 -10.530 1.00 1.00 H new ATOM 0 HA ASP A 57 20.100 -9.126 -10.398 1.00 1.01 H new ATOM 0 HB2 ASP A 57 18.860 -10.995 -12.370 1.00 1.15 H new ATOM 0 HB3 ASP A 57 18.550 -9.288 -12.620 1.00 1.15 H new ATOM 880 N GLU A 58 16.956 -9.945 -9.991 1.00 0.94 N ATOM 881 CA GLU A 58 15.644 -9.453 -9.602 1.00 0.95 C ATOM 882 C GLU A 58 15.807 -8.400 -8.526 1.00 0.87 C ATOM 883 O GLU A 58 15.091 -7.403 -8.494 1.00 0.90 O ATOM 884 CB GLU A 58 14.769 -10.598 -9.092 1.00 0.98 C ATOM 885 CG GLU A 58 13.299 -10.237 -9.008 1.00 1.43 C ATOM 886 CD GLU A 58 12.466 -11.332 -8.369 1.00 1.80 C ATOM 887 OE1 GLU A 58 12.284 -12.389 -9.008 1.00 2.29 O ATOM 888 OE2 GLU A 58 11.996 -11.130 -7.230 1.00 2.42 O ATOM 0 H GLU A 58 17.030 -10.962 -10.032 1.00 0.94 H new ATOM 0 HA GLU A 58 15.154 -9.014 -10.471 1.00 0.95 H new ATOM 0 HB2 GLU A 58 14.888 -11.458 -9.751 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.119 -10.902 -8.105 1.00 0.98 H new ATOM 0 HG2 GLU A 58 13.187 -9.318 -8.433 1.00 1.43 H new ATOM 0 HG3 GLU A 58 12.920 -10.035 -10.010 1.00 1.43 H new ATOM 895 N LYS A 59 16.784 -8.642 -7.665 1.00 0.81 N ATOM 896 CA LYS A 59 17.111 -7.746 -6.584 1.00 0.76 C ATOM 897 C LYS A 59 17.786 -6.486 -7.108 1.00 0.80 C ATOM 898 O LYS A 59 17.601 -5.403 -6.563 1.00 0.79 O ATOM 899 CB LYS A 59 18.043 -8.433 -5.577 1.00 0.75 C ATOM 900 CG LYS A 59 17.349 -9.319 -4.543 1.00 0.75 C ATOM 901 CD LYS A 59 16.345 -10.285 -5.152 1.00 1.14 C ATOM 902 CE LYS A 59 14.907 -9.896 -4.853 1.00 1.95 C ATOM 903 NZ LYS A 59 13.997 -10.229 -5.982 1.00 2.67 N ATOM 0 H LYS A 59 17.372 -9.474 -7.704 1.00 0.81 H new ATOM 0 HA LYS A 59 16.179 -7.473 -6.089 1.00 0.76 H new ATOM 0 HB2 LYS A 59 18.761 -9.040 -6.128 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.611 -7.666 -5.051 1.00 0.75 H new ATOM 0 HG2 LYS A 59 18.103 -9.886 -3.997 1.00 0.75 H new ATOM 0 HG3 LYS A 59 16.839 -8.686 -3.817 1.00 0.75 H new ATOM 0 HD2 LYS A 59 16.491 -10.322 -6.232 1.00 1.14 H new ATOM 0 HD3 LYS A 59 16.533 -11.288 -4.770 1.00 1.14 H new ATOM 0 HE2 LYS A 59 14.571 -10.410 -3.952 1.00 1.95 H new ATOM 0 HE3 LYS A 59 14.855 -8.827 -4.648 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 13.009 -10.157 -5.665 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 14.158 -9.565 -6.766 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 14.186 -11.199 -6.306 1.00 2.67 H new ATOM 917 N MET A 60 18.570 -6.640 -8.171 1.00 0.86 N ATOM 918 CA MET A 60 19.300 -5.528 -8.758 1.00 0.92 C ATOM 919 C MET A 60 18.431 -4.664 -9.674 1.00 0.96 C ATOM 920 O MET A 60 18.758 -3.507 -9.935 1.00 1.01 O ATOM 921 CB MET A 60 20.507 -6.049 -9.539 1.00 1.00 C ATOM 922 CG MET A 60 21.526 -6.774 -8.676 1.00 1.00 C ATOM 923 SD MET A 60 22.967 -7.320 -9.613 1.00 1.73 S ATOM 924 CE MET A 60 23.567 -5.757 -10.253 1.00 2.31 C ATOM 0 H MET A 60 18.715 -7.532 -8.644 1.00 0.86 H new ATOM 0 HA MET A 60 19.628 -4.896 -7.933 1.00 0.92 H new ATOM 0 HB2 MET A 60 20.159 -6.725 -10.320 1.00 1.00 H new ATOM 0 HB3 MET A 60 20.996 -5.211 -10.037 1.00 1.00 H new ATOM 0 HG2 MET A 60 21.850 -6.114 -7.871 1.00 1.00 H new ATOM 0 HG3 MET A 60 21.052 -7.638 -8.209 1.00 1.00 H new ATOM 0 HE1 MET A 60 24.627 -5.845 -10.492 1.00 2.31 H new ATOM 0 HE2 MET A 60 23.012 -5.496 -11.154 1.00 2.31 H new ATOM 0 HE3 MET A 60 23.427 -4.979 -9.503 1.00 2.31 H new ATOM 934 N LYS A 61 17.330 -5.224 -10.159 1.00 0.97 N ATOM 935 CA LYS A 61 16.442 -4.494 -11.069 1.00 1.02 C ATOM 936 C LYS A 61 15.521 -3.567 -10.306 1.00 0.96 C ATOM 937 O LYS A 61 15.681 -2.347 -10.334 1.00 0.92 O ATOM 938 CB LYS A 61 15.591 -5.444 -11.924 1.00 1.08 C ATOM 939 CG LYS A 61 16.081 -6.880 -11.954 1.00 1.55 C ATOM 940 CD LYS A 61 15.329 -7.704 -12.987 1.00 2.07 C ATOM 941 CE LYS A 61 15.637 -7.240 -14.402 1.00 2.59 C ATOM 942 NZ LYS A 61 17.085 -7.360 -14.724 1.00 3.16 N ATOM 0 H LYS A 61 17.028 -6.174 -9.943 1.00 0.97 H new ATOM 0 HA LYS A 61 17.087 -3.911 -11.726 1.00 1.02 H new ATOM 0 HB2 LYS A 61 14.568 -5.431 -11.548 1.00 1.08 H new ATOM 0 HB3 LYS A 61 15.560 -5.063 -12.945 1.00 1.08 H new ATOM 0 HG2 LYS A 61 17.147 -6.897 -12.180 1.00 1.55 H new ATOM 0 HG3 LYS A 61 15.957 -7.329 -10.968 1.00 1.55 H new ATOM 0 HD2 LYS A 61 15.598 -8.755 -12.881 1.00 2.07 H new ATOM 0 HD3 LYS A 61 14.257 -7.629 -12.804 1.00 2.07 H new ATOM 0 HE2 LYS A 61 15.057 -7.830 -15.112 1.00 2.59 H new ATOM 0 HE3 LYS A 61 15.324 -6.203 -14.520 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 17.197 -7.797 -15.661 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 17.519 -6.415 -14.728 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 17.552 -7.952 -14.008 1.00 3.16 H new ATOM 956 N THR A 62 14.554 -4.157 -9.617 1.00 0.98 N ATOM 957 CA THR A 62 13.591 -3.385 -8.850 1.00 0.96 C ATOM 958 C THR A 62 14.307 -2.381 -7.956 1.00 0.86 C ATOM 959 O THR A 62 13.749 -1.347 -7.586 1.00 0.84 O ATOM 960 CB THR A 62 12.688 -4.280 -7.986 1.00 1.02 C ATOM 961 OG1 THR A 62 12.103 -5.316 -8.788 1.00 1.12 O ATOM 962 CG2 THR A 62 11.585 -3.462 -7.330 1.00 1.05 C ATOM 0 H THR A 62 14.417 -5.167 -9.574 1.00 0.98 H new ATOM 0 HA THR A 62 12.961 -2.860 -9.568 1.00 0.96 H new ATOM 0 HB THR A 62 13.304 -4.729 -7.207 1.00 1.02 H new ATOM 0 HG1 THR A 62 11.531 -5.881 -8.227 1.00 1.12 H new ATOM 0 HG21 THR A 62 10.958 -4.116 -6.724 1.00 1.05 H new ATOM 0 HG22 THR A 62 12.029 -2.695 -6.696 1.00 1.05 H new ATOM 0 HG23 THR A 62 10.976 -2.988 -8.100 1.00 1.05 H new ATOM 970 N LEU A 63 15.553 -2.700 -7.613 1.00 0.86 N ATOM 971 CA LEU A 63 16.369 -1.828 -6.786 1.00 0.84 C ATOM 972 C LEU A 63 16.354 -0.409 -7.335 1.00 0.80 C ATOM 973 O LEU A 63 15.818 0.498 -6.703 1.00 0.89 O ATOM 974 CB LEU A 63 17.795 -2.367 -6.711 1.00 0.95 C ATOM 975 CG LEU A 63 18.794 -1.474 -5.987 1.00 0.92 C ATOM 976 CD1 LEU A 63 19.889 -2.308 -5.343 1.00 1.05 C ATOM 977 CD2 LEU A 63 19.398 -0.453 -6.941 1.00 1.40 C ATOM 0 H LEU A 63 16.017 -3.562 -7.899 1.00 0.86 H new ATOM 0 HA LEU A 63 15.954 -1.804 -5.778 1.00 0.84 H new ATOM 0 HB2 LEU A 63 17.773 -3.337 -6.213 1.00 0.95 H new ATOM 0 HB3 LEU A 63 18.155 -2.537 -7.726 1.00 0.95 H new ATOM 0 HG LEU A 63 18.260 -0.937 -5.203 1.00 0.92 H new ATOM 0 HD11 LEU A 63 20.593 -1.652 -4.831 1.00 1.05 H new ATOM 0 HD12 LEU A 63 19.446 -2.997 -4.624 1.00 1.05 H new ATOM 0 HD13 LEU A 63 20.415 -2.874 -6.112 1.00 1.05 H new ATOM 0 HD21 LEU A 63 20.108 0.173 -6.401 1.00 1.40 H new ATOM 0 HD22 LEU A 63 19.913 -0.971 -7.750 1.00 1.40 H new ATOM 0 HD23 LEU A 63 18.606 0.171 -7.355 1.00 1.40 H new ATOM 989 N ASP A 64 16.922 -0.211 -8.518 1.00 0.79 N ATOM 990 CA ASP A 64 16.929 1.118 -9.099 1.00 0.82 C ATOM 991 C ASP A 64 15.511 1.556 -9.412 1.00 0.82 C ATOM 992 O ASP A 64 15.223 2.747 -9.440 1.00 0.89 O ATOM 993 CB ASP A 64 17.778 1.203 -10.356 1.00 0.91 C ATOM 994 CG ASP A 64 19.191 0.692 -10.151 1.00 1.35 C ATOM 995 OD1 ASP A 64 19.401 -0.535 -10.261 1.00 2.05 O ATOM 996 OD2 ASP A 64 20.087 1.518 -9.883 1.00 1.99 O ATOM 0 H ASP A 64 17.372 -0.935 -9.079 1.00 0.79 H new ATOM 0 HA ASP A 64 17.373 1.785 -8.360 1.00 0.82 H new ATOM 0 HB2 ASP A 64 17.301 0.628 -11.150 1.00 0.91 H new ATOM 0 HB3 ASP A 64 17.817 2.239 -10.692 1.00 0.91 H new ATOM 1001 N VAL A 65 14.624 0.594 -9.667 1.00 0.82 N ATOM 1002 CA VAL A 65 13.231 0.922 -9.939 1.00 0.87 C ATOM 1003 C VAL A 65 12.687 1.722 -8.765 1.00 0.77 C ATOM 1004 O VAL A 65 12.512 2.935 -8.857 1.00 0.82 O ATOM 1005 CB VAL A 65 12.367 -0.336 -10.167 1.00 0.95 C ATOM 1006 CG1 VAL A 65 10.907 0.044 -10.357 1.00 1.06 C ATOM 1007 CG2 VAL A 65 12.878 -1.119 -11.367 1.00 1.07 C ATOM 0 H VAL A 65 14.843 -0.402 -9.690 1.00 0.82 H new ATOM 0 HA VAL A 65 13.187 1.506 -10.859 1.00 0.87 H new ATOM 0 HB VAL A 65 12.441 -0.971 -9.284 1.00 0.95 H new ATOM 0 HG11 VAL A 65 10.314 -0.857 -10.516 1.00 1.06 H new ATOM 0 HG12 VAL A 65 10.547 0.562 -9.468 1.00 1.06 H new ATOM 0 HG13 VAL A 65 10.811 0.699 -11.223 1.00 1.06 H new ATOM 0 HG21 VAL A 65 12.258 -2.003 -11.515 1.00 1.07 H new ATOM 0 HG22 VAL A 65 12.833 -0.491 -12.257 1.00 1.07 H new ATOM 0 HG23 VAL A 65 13.909 -1.424 -11.190 1.00 1.07 H new ATOM 1017 N ASN A 66 12.407 1.035 -7.662 1.00 0.72 N ATOM 1018 CA ASN A 66 11.952 1.705 -6.454 1.00 0.68 C ATOM 1019 C ASN A 66 13.157 2.217 -5.679 1.00 0.57 C ATOM 1020 O ASN A 66 13.281 1.967 -4.480 1.00 0.57 O ATOM 1021 CB ASN A 66 11.137 0.767 -5.564 1.00 0.82 C ATOM 1022 CG ASN A 66 10.250 -0.166 -6.363 1.00 0.81 C ATOM 1023 OD1 ASN A 66 9.769 0.185 -7.440 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.032 -1.366 -5.838 1.00 1.10 N ATOM 0 H ASN A 66 12.487 0.021 -7.582 1.00 0.72 H new ATOM 0 HA ASN A 66 11.309 2.535 -6.748 1.00 0.68 H new ATOM 0 HB2 ASN A 66 11.815 0.178 -4.946 1.00 0.82 H new ATOM 0 HB3 ASN A 66 10.520 1.358 -4.887 1.00 0.82 H new ATOM 0 HD21 ASN A 66 9.445 -2.039 -6.331 1.00 1.10 H new ATOM 0 HD22 ASN A 66 10.451 -1.614 -4.942 1.00 1.10 H new ATOM 1031 N GLN A 67 14.043 2.943 -6.355 1.00 0.62 N ATOM 1032 CA GLN A 67 15.239 3.441 -5.713 1.00 0.68 C ATOM 1033 C GLN A 67 14.844 4.297 -4.528 1.00 0.61 C ATOM 1034 O GLN A 67 15.351 4.140 -3.418 1.00 0.66 O ATOM 1035 CB GLN A 67 16.109 4.217 -6.716 1.00 0.88 C ATOM 1036 CG GLN A 67 15.581 5.576 -7.115 1.00 0.74 C ATOM 1037 CD GLN A 67 14.279 5.535 -7.888 1.00 1.15 C ATOM 1038 OE1 GLN A 67 14.105 4.745 -8.808 1.00 1.97 O ATOM 1039 NE2 GLN A 67 13.349 6.392 -7.491 1.00 1.36 N ATOM 0 H GLN A 67 13.950 3.194 -7.339 1.00 0.62 H new ATOM 0 HA GLN A 67 15.840 2.606 -5.352 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.103 4.344 -6.287 1.00 0.88 H new ATOM 0 HB3 GLN A 67 16.224 3.612 -7.615 1.00 0.88 H new ATOM 0 HG2 GLN A 67 15.438 6.176 -6.216 1.00 0.74 H new ATOM 0 HG3 GLN A 67 16.333 6.082 -7.720 1.00 0.74 H new ATOM 0 HE21 GLN A 67 13.540 7.031 -6.719 1.00 1.36 H new ATOM 0 HE22 GLN A 67 12.442 6.412 -7.957 1.00 1.36 H new ATOM 1048 N ASP A 68 13.928 5.203 -4.794 1.00 0.59 N ATOM 1049 CA ASP A 68 13.399 6.097 -3.789 1.00 0.62 C ATOM 1050 C ASP A 68 12.187 5.473 -3.107 1.00 0.59 C ATOM 1051 O ASP A 68 11.216 6.167 -2.808 1.00 0.66 O ATOM 1052 CB ASP A 68 13.059 7.459 -4.389 1.00 0.74 C ATOM 1053 CG ASP A 68 14.300 8.212 -4.838 1.00 1.00 C ATOM 1054 OD1 ASP A 68 15.293 8.231 -4.081 1.00 1.62 O ATOM 1055 OD2 ASP A 68 14.278 8.780 -5.950 1.00 1.51 O ATOM 0 H ASP A 68 13.527 5.340 -5.722 1.00 0.59 H new ATOM 0 HA ASP A 68 14.168 6.257 -3.033 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.390 7.323 -5.239 1.00 0.74 H new ATOM 0 HB3 ASP A 68 12.521 8.055 -3.652 1.00 0.74 H new ATOM 1060 N SER A 69 12.254 4.164 -2.833 1.00 0.56 N ATOM 1061 CA SER A 69 11.157 3.461 -2.163 1.00 0.59 C ATOM 1062 C SER A 69 10.808 4.176 -0.865 1.00 0.63 C ATOM 1063 O SER A 69 9.815 3.866 -0.209 1.00 0.75 O ATOM 1064 CB SER A 69 11.524 2.006 -1.892 1.00 0.68 C ATOM 1065 OG SER A 69 12.816 1.908 -1.326 1.00 1.75 O ATOM 0 H SER A 69 13.053 3.574 -3.064 1.00 0.56 H new ATOM 0 HA SER A 69 10.287 3.466 -2.819 1.00 0.59 H new ATOM 0 HB2 SER A 69 10.792 1.562 -1.217 1.00 0.68 H new ATOM 0 HB3 SER A 69 11.486 1.438 -2.822 1.00 0.68 H new ATOM 0 HG SER A 69 13.486 1.884 -2.041 1.00 1.75 H new ATOM 1071 N GLU A 70 11.714 5.047 -0.449 1.00 0.64 N ATOM 1072 CA GLU A 70 11.502 5.913 0.679 1.00 0.76 C ATOM 1073 C GLU A 70 11.971 7.298 0.317 1.00 0.78 C ATOM 1074 O GLU A 70 12.911 7.472 -0.458 1.00 0.81 O ATOM 1075 CB GLU A 70 12.226 5.493 1.923 1.00 0.85 C ATOM 1076 CG GLU A 70 12.078 6.543 2.997 1.00 1.33 C ATOM 1077 CD GLU A 70 12.300 6.006 4.360 1.00 2.19 C ATOM 1078 OE1 GLU A 70 12.786 4.860 4.467 1.00 2.88 O ATOM 1079 OE2 GLU A 70 12.000 6.739 5.327 1.00 2.72 O ATOM 0 H GLU A 70 12.623 5.167 -0.896 1.00 0.64 H new ATOM 0 HA GLU A 70 10.435 5.871 0.900 1.00 0.76 H new ATOM 0 HB2 GLU A 70 11.830 4.542 2.278 1.00 0.85 H new ATOM 0 HB3 GLU A 70 13.282 5.336 1.702 1.00 0.85 H new ATOM 0 HG2 GLU A 70 12.786 7.350 2.810 1.00 1.33 H new ATOM 0 HG3 GLU A 70 11.079 6.976 2.940 1.00 1.33 H new ATOM 1086 N LEU A 71 11.313 8.275 0.882 1.00 0.79 N ATOM 1087 CA LEU A 71 11.664 9.633 0.608 1.00 0.83 C ATOM 1088 C LEU A 71 11.441 10.578 1.766 1.00 0.81 C ATOM 1089 O LEU A 71 10.765 10.268 2.747 1.00 0.86 O ATOM 1090 CB LEU A 71 10.914 10.126 -0.592 1.00 0.99 C ATOM 1091 CG LEU A 71 9.417 10.314 -0.398 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.810 9.110 0.280 1.00 1.89 C ATOM 1093 CD2 LEU A 71 9.118 11.580 0.380 1.00 1.26 C ATOM 0 H LEU A 71 10.536 8.152 1.531 1.00 0.79 H new ATOM 0 HA LEU A 71 12.738 9.628 0.419 1.00 0.83 H new ATOM 0 HB2 LEU A 71 11.345 11.078 -0.902 1.00 0.99 H new ATOM 0 HB3 LEU A 71 11.071 9.424 -1.411 1.00 0.99 H new ATOM 0 HG LEU A 71 8.963 10.416 -1.384 1.00 0.79 H new ATOM 0 HD11 LEU A 71 7.739 9.266 0.409 1.00 1.89 H new ATOM 0 HD12 LEU A 71 8.976 8.225 -0.334 1.00 1.89 H new ATOM 0 HD13 LEU A 71 9.276 8.968 1.255 1.00 1.89 H new ATOM 0 HD21 LEU A 71 8.040 11.686 0.502 1.00 1.26 H new ATOM 0 HD22 LEU A 71 9.590 11.525 1.361 1.00 1.26 H new ATOM 0 HD23 LEU A 71 9.508 12.441 -0.162 1.00 1.26 H new ATOM 1105 N ARG A 72 12.038 11.738 1.609 1.00 0.77 N ATOM 1106 CA ARG A 72 11.915 12.834 2.542 1.00 0.79 C ATOM 1107 C ARG A 72 11.087 13.926 1.868 1.00 0.68 C ATOM 1108 O ARG A 72 10.333 14.652 2.518 1.00 0.75 O ATOM 1109 CB ARG A 72 13.295 13.391 2.891 1.00 0.91 C ATOM 1110 CG ARG A 72 14.417 12.381 2.776 1.00 1.00 C ATOM 1111 CD ARG A 72 14.181 11.165 3.648 1.00 1.06 C ATOM 1112 NE ARG A 72 13.963 11.519 5.048 1.00 1.30 N ATOM 1113 CZ ARG A 72 13.450 10.682 5.945 1.00 1.18 C ATOM 1114 NH1 ARG A 72 13.104 9.453 5.586 1.00 1.56 N ATOM 1115 NH2 ARG A 72 13.284 11.072 7.201 1.00 1.42 N ATOM 0 H ARG A 72 12.636 11.950 0.810 1.00 0.77 H new ATOM 0 HA ARG A 72 11.438 12.491 3.460 1.00 0.79 H new ATOM 0 HB2 ARG A 72 13.511 14.234 2.235 1.00 0.91 H new ATOM 0 HB3 ARG A 72 13.272 13.778 3.910 1.00 0.91 H new ATOM 0 HG2 ARG A 72 14.517 12.067 1.737 1.00 1.00 H new ATOM 0 HG3 ARG A 72 15.358 12.852 3.059 1.00 1.00 H new ATOM 0 HD2 ARG A 72 13.316 10.616 3.276 1.00 1.06 H new ATOM 0 HD3 ARG A 72 15.039 10.496 3.574 1.00 1.06 H new ATOM 0 HE ARG A 72 14.218 12.458 5.354 1.00 1.30 H new ATOM 0 HH11 ARG A 72 13.231 9.149 4.621 1.00 1.56 H new ATOM 0 HH12 ARG A 72 12.711 8.812 6.275 1.00 1.56 H new ATOM 0 HH21 ARG A 72 13.550 12.016 7.481 1.00 1.42 H new ATOM 0 HH22 ARG A 72 12.890 10.428 7.887 1.00 1.42 H new ATOM 1129 N PHE A 73 11.232 14.006 0.537 1.00 0.60 N ATOM 1130 CA PHE A 73 10.535 14.985 -0.272 1.00 0.57 C ATOM 1131 C PHE A 73 9.259 14.432 -0.945 1.00 0.51 C ATOM 1132 O PHE A 73 8.326 14.057 -0.248 1.00 0.63 O ATOM 1133 CB PHE A 73 11.497 15.635 -1.288 1.00 0.64 C ATOM 1134 CG PHE A 73 12.262 14.719 -2.230 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.065 13.339 -2.276 1.00 1.24 C ATOM 1136 CD2 PHE A 73 13.180 15.277 -3.106 1.00 1.36 C ATOM 1137 CE1 PHE A 73 12.770 12.557 -3.171 1.00 1.31 C ATOM 1138 CE2 PHE A 73 13.888 14.495 -3.994 1.00 1.44 C ATOM 1139 CZ PHE A 73 13.682 13.135 -4.028 1.00 0.86 C ATOM 0 H PHE A 73 11.840 13.387 0.001 1.00 0.60 H new ATOM 0 HA PHE A 73 10.182 15.761 0.407 1.00 0.57 H new ATOM 0 HB2 PHE A 73 10.920 16.333 -1.895 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.225 16.224 -0.730 1.00 0.64 H new ATOM 0 HD1 PHE A 73 11.355 12.877 -1.606 1.00 1.24 H new ATOM 0 HD2 PHE A 73 13.344 16.344 -3.093 1.00 1.36 H new ATOM 0 HE1 PHE A 73 12.606 11.490 -3.199 1.00 1.31 H new ATOM 0 HE2 PHE A 73 14.604 14.950 -4.663 1.00 1.44 H new ATOM 0 HZ PHE A 73 14.234 12.521 -4.725 1.00 0.86 H new ATOM 1149 N SER A 74 9.216 14.333 -2.280 1.00 0.48 N ATOM 1150 CA SER A 74 7.992 13.916 -2.966 1.00 0.46 C ATOM 1151 C SER A 74 8.117 12.605 -3.680 1.00 0.42 C ATOM 1152 O SER A 74 7.357 12.321 -4.603 1.00 0.47 O ATOM 1153 CB SER A 74 7.547 14.992 -3.957 1.00 0.60 C ATOM 1154 OG SER A 74 6.643 15.899 -3.354 1.00 1.01 O ATOM 0 H SER A 74 10.003 14.533 -2.897 1.00 0.48 H new ATOM 0 HA SER A 74 7.244 13.781 -2.185 1.00 0.46 H new ATOM 0 HB2 SER A 74 8.418 15.533 -4.326 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.075 14.523 -4.820 1.00 0.60 H new ATOM 0 HG SER A 74 5.786 15.451 -3.197 1.00 1.01 H new ATOM 1160 N GLU A 75 9.040 11.793 -3.250 1.00 0.43 N ATOM 1161 CA GLU A 75 9.203 10.496 -3.878 1.00 0.42 C ATOM 1162 C GLU A 75 8.196 9.466 -3.342 1.00 0.42 C ATOM 1163 O GLU A 75 8.325 8.271 -3.612 1.00 0.55 O ATOM 1164 CB GLU A 75 10.619 10.003 -3.653 1.00 0.44 C ATOM 1165 CG GLU A 75 11.535 10.124 -4.847 1.00 0.60 C ATOM 1166 CD GLU A 75 11.095 9.266 -6.009 1.00 0.93 C ATOM 1167 OE1 GLU A 75 9.958 8.763 -5.965 1.00 1.60 O ATOM 1168 OE2 GLU A 75 11.888 9.096 -6.959 1.00 1.42 O ATOM 0 H GLU A 75 9.683 11.992 -2.484 1.00 0.43 H new ATOM 0 HA GLU A 75 9.012 10.612 -4.945 1.00 0.42 H new ATOM 0 HB2 GLU A 75 11.054 10.560 -2.823 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.579 8.957 -3.349 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.575 11.166 -5.165 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.546 9.841 -4.554 1.00 0.60 H new ATOM 1175 N TYR A 76 7.192 9.929 -2.588 1.00 0.38 N ATOM 1176 CA TYR A 76 6.212 9.032 -1.989 1.00 0.38 C ATOM 1177 C TYR A 76 5.523 8.160 -3.010 1.00 0.39 C ATOM 1178 O TYR A 76 4.944 7.133 -2.670 1.00 0.43 O ATOM 1179 CB TYR A 76 5.192 9.790 -1.139 1.00 0.40 C ATOM 1180 CG TYR A 76 5.580 9.772 0.302 1.00 0.41 C ATOM 1181 CD1 TYR A 76 5.503 8.615 1.055 1.00 1.29 C ATOM 1182 CD2 TYR A 76 6.126 10.893 0.879 1.00 1.22 C ATOM 1183 CE1 TYR A 76 5.952 8.584 2.347 1.00 1.30 C ATOM 1184 CE2 TYR A 76 6.572 10.882 2.175 1.00 1.25 C ATOM 1185 CZ TYR A 76 6.490 9.722 2.913 1.00 0.49 C ATOM 1186 OH TYR A 76 6.944 9.700 4.212 1.00 0.55 O ATOM 0 H TYR A 76 7.042 10.917 -2.382 1.00 0.38 H new ATOM 0 HA TYR A 76 6.772 8.370 -1.329 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.117 10.820 -1.487 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.206 9.340 -1.260 1.00 0.40 H new ATOM 0 HD1 TYR A 76 5.082 7.722 0.617 1.00 1.29 H new ATOM 0 HD2 TYR A 76 6.205 11.801 0.300 1.00 1.22 H new ATOM 0 HE1 TYR A 76 5.886 7.672 2.922 1.00 1.30 H new ATOM 0 HE2 TYR A 76 6.985 11.778 2.615 1.00 1.25 H new ATOM 0 HH TYR A 76 7.292 10.584 4.452 1.00 0.55 H new ATOM 1196 N TRP A 77 5.597 8.549 -4.262 1.00 0.39 N ATOM 1197 CA TRP A 77 4.998 7.744 -5.309 1.00 0.43 C ATOM 1198 C TRP A 77 5.779 6.444 -5.477 1.00 0.45 C ATOM 1199 O TRP A 77 5.364 5.568 -6.229 1.00 0.49 O ATOM 1200 CB TRP A 77 4.970 8.484 -6.645 1.00 0.44 C ATOM 1201 CG TRP A 77 6.336 8.833 -7.138 1.00 0.44 C ATOM 1202 CD1 TRP A 77 7.298 7.960 -7.546 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.901 10.142 -7.265 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.424 8.643 -7.922 1.00 0.52 N ATOM 1205 CE2 TRP A 77 8.208 9.985 -7.756 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.430 11.429 -7.012 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 9.048 11.070 -7.997 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.260 12.503 -7.248 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.559 12.321 -7.735 1.00 0.55 C ATOM 0 H TRP A 77 6.057 9.402 -4.580 1.00 0.39 H new ATOM 0 HA TRP A 77 3.971 7.532 -5.011 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.467 7.865 -7.388 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.382 9.396 -6.539 1.00 0.44 H new ATOM 0 HD1 TRP A 77 7.189 6.886 -7.570 1.00 0.49 H new ATOM 0 HE1 TRP A 77 9.285 8.220 -8.270 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.429 11.582 -6.636 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 10.049 10.929 -8.377 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 6.902 13.503 -7.054 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.187 13.183 -7.907 1.00 0.55 H new ATOM 1220 N ARG A 78 6.938 6.327 -4.811 1.00 0.43 N ATOM 1221 CA ARG A 78 7.735 5.116 -4.922 1.00 0.47 C ATOM 1222 C ARG A 78 7.260 4.096 -3.915 1.00 0.49 C ATOM 1223 O ARG A 78 7.309 2.890 -4.154 1.00 0.61 O ATOM 1224 CB ARG A 78 9.224 5.421 -4.742 1.00 0.50 C ATOM 1225 CG ARG A 78 9.821 6.112 -5.944 1.00 0.60 C ATOM 1226 CD ARG A 78 10.321 5.124 -6.995 1.00 0.77 C ATOM 1227 NE ARG A 78 9.462 3.941 -7.118 1.00 1.48 N ATOM 1228 CZ ARG A 78 9.202 3.314 -8.268 1.00 1.75 C ATOM 1229 NH1 ARG A 78 9.762 3.712 -9.406 1.00 1.37 N ATOM 1230 NH2 ARG A 78 8.391 2.265 -8.275 1.00 2.82 N ATOM 0 H ARG A 78 7.331 7.046 -4.203 1.00 0.43 H new ATOM 0 HA ARG A 78 7.607 4.702 -5.922 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.359 6.049 -3.861 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.762 4.492 -4.556 1.00 0.50 H new ATOM 0 HG2 ARG A 78 9.073 6.767 -6.392 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.648 6.745 -5.622 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.380 5.627 -7.960 1.00 0.77 H new ATOM 0 HD3 ARG A 78 11.332 4.808 -6.738 1.00 0.77 H new ATOM 0 HE ARG A 78 9.035 3.573 -6.268 1.00 1.48 H new ATOM 0 HH11 ARG A 78 10.401 4.507 -9.409 1.00 1.37 H new ATOM 0 HH12 ARG A 78 9.553 3.222 -10.276 1.00 1.37 H new ATOM 0 HH21 ARG A 78 7.969 1.941 -7.405 1.00 2.82 H new ATOM 0 HH22 ARG A 78 8.189 1.782 -9.151 1.00 2.82 H new ATOM 1244 N LEU A 79 6.795 4.601 -2.782 1.00 0.43 N ATOM 1245 CA LEU A 79 6.307 3.757 -1.725 1.00 0.46 C ATOM 1246 C LEU A 79 4.874 3.321 -2.014 1.00 0.47 C ATOM 1247 O LEU A 79 4.294 2.528 -1.272 1.00 0.53 O ATOM 1248 CB LEU A 79 6.383 4.462 -0.363 1.00 0.55 C ATOM 1249 CG LEU A 79 7.039 5.861 -0.308 1.00 0.63 C ATOM 1250 CD1 LEU A 79 7.220 6.262 1.143 1.00 1.24 C ATOM 1251 CD2 LEU A 79 8.382 5.920 -1.030 1.00 0.89 C ATOM 0 H LEU A 79 6.749 5.600 -2.580 1.00 0.43 H new ATOM 0 HA LEU A 79 6.946 2.875 -1.681 1.00 0.46 H new ATOM 0 HB2 LEU A 79 5.368 4.553 0.023 1.00 0.55 H new ATOM 0 HB3 LEU A 79 6.927 3.810 0.321 1.00 0.55 H new ATOM 0 HG LEU A 79 6.376 6.555 -0.825 1.00 0.63 H new ATOM 0 HD11 LEU A 79 7.682 7.248 1.193 1.00 1.24 H new ATOM 0 HD12 LEU A 79 6.248 6.291 1.636 1.00 1.24 H new ATOM 0 HD13 LEU A 79 7.860 5.536 1.644 1.00 1.24 H new ATOM 0 HD21 LEU A 79 8.791 6.928 -0.956 1.00 0.89 H new ATOM 0 HD22 LEU A 79 9.073 5.213 -0.571 1.00 0.89 H new ATOM 0 HD23 LEU A 79 8.242 5.662 -2.080 1.00 0.89 H new ATOM 1263 N ILE A 80 4.306 3.841 -3.103 1.00 0.46 N ATOM 1264 CA ILE A 80 2.948 3.515 -3.479 1.00 0.49 C ATOM 1265 C ILE A 80 2.825 2.041 -3.856 1.00 0.49 C ATOM 1266 O ILE A 80 1.929 1.345 -3.380 1.00 0.51 O ATOM 1267 CB ILE A 80 2.468 4.432 -4.631 1.00 0.53 C ATOM 1268 CG1 ILE A 80 0.952 4.377 -4.789 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.137 4.047 -5.929 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.415 5.388 -5.780 1.00 1.16 C ATOM 0 H ILE A 80 4.774 4.490 -3.735 1.00 0.46 H new ATOM 0 HA ILE A 80 2.302 3.689 -2.618 1.00 0.49 H new ATOM 0 HB ILE A 80 2.747 5.455 -4.377 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.663 3.376 -5.110 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.486 4.548 -3.818 1.00 0.60 H new ATOM 0 HG21 ILE A 80 2.787 4.702 -6.727 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.217 4.147 -5.825 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.890 3.014 -6.173 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.669 5.294 -5.844 1.00 1.16 H new ATOM 0 HD12 ILE A 80 0.674 6.394 -5.450 1.00 1.16 H new ATOM 0 HD13 ILE A 80 0.853 5.204 -6.761 1.00 1.16 H new ATOM 1282 N GLY A 81 3.725 1.571 -4.710 1.00 0.48 N ATOM 1283 CA GLY A 81 3.709 0.178 -5.101 1.00 0.49 C ATOM 1284 C GLY A 81 4.390 -0.706 -4.071 1.00 0.43 C ATOM 1285 O GLY A 81 4.442 -1.925 -4.230 1.00 0.43 O ATOM 0 H GLY A 81 4.464 2.130 -5.137 1.00 0.48 H new ATOM 0 HA2 GLY A 81 2.678 -0.150 -5.236 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.208 0.065 -6.063 1.00 0.49 H new ATOM 1289 N GLU A 82 4.906 -0.092 -3.003 1.00 0.41 N ATOM 1290 CA GLU A 82 5.601 -0.838 -1.956 1.00 0.39 C ATOM 1291 C GLU A 82 4.609 -1.523 -1.034 1.00 0.33 C ATOM 1292 O GLU A 82 4.558 -2.747 -0.962 1.00 0.34 O ATOM 1293 CB GLU A 82 6.479 0.102 -1.152 1.00 0.43 C ATOM 1294 CG GLU A 82 7.666 0.641 -1.937 1.00 0.46 C ATOM 1295 CD GLU A 82 8.596 -0.458 -2.415 1.00 0.71 C ATOM 1296 OE1 GLU A 82 8.344 -1.015 -3.503 1.00 1.39 O ATOM 1297 OE2 GLU A 82 9.575 -0.760 -1.700 1.00 1.47 O ATOM 0 H GLU A 82 4.855 0.914 -2.843 1.00 0.41 H new ATOM 0 HA GLU A 82 6.219 -1.601 -2.429 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.876 0.939 -0.800 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.845 -0.421 -0.268 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.303 1.204 -2.797 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.224 1.338 -1.312 1.00 0.46 H new ATOM 1304 N LEU A 83 3.820 -0.727 -0.316 1.00 0.34 N ATOM 1305 CA LEU A 83 2.807 -1.274 0.583 1.00 0.35 C ATOM 1306 C LEU A 83 1.994 -2.336 -0.134 1.00 0.35 C ATOM 1307 O LEU A 83 1.422 -3.228 0.491 1.00 0.43 O ATOM 1308 CB LEU A 83 1.890 -0.160 1.090 1.00 0.43 C ATOM 1309 CG LEU A 83 2.199 0.348 2.499 1.00 0.50 C ATOM 1310 CD1 LEU A 83 1.481 1.664 2.754 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.798 -0.689 3.536 1.00 1.31 C ATOM 0 H LEU A 83 3.862 0.292 -0.339 1.00 0.34 H new ATOM 0 HA LEU A 83 3.306 -1.730 1.438 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.948 0.680 0.398 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.861 -0.520 1.068 1.00 0.43 H new ATOM 0 HG LEU A 83 3.272 0.518 2.581 1.00 0.50 H new ATOM 0 HD11 LEU A 83 1.710 2.014 3.761 1.00 1.26 H new ATOM 0 HD12 LEU A 83 1.812 2.406 2.028 1.00 1.26 H new ATOM 0 HD13 LEU A 83 0.405 1.516 2.657 1.00 1.26 H new ATOM 0 HD21 LEU A 83 2.024 -0.312 4.534 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.729 -0.888 3.457 1.00 1.31 H new ATOM 0 HD23 LEU A 83 2.353 -1.611 3.362 1.00 1.31 H new ATOM 1323 N ALA A 84 1.951 -2.233 -1.457 1.00 0.34 N ATOM 1324 CA ALA A 84 1.234 -3.192 -2.262 1.00 0.37 C ATOM 1325 C ALA A 84 1.963 -4.532 -2.290 1.00 0.41 C ATOM 1326 O ALA A 84 1.329 -5.582 -2.334 1.00 0.48 O ATOM 1327 CB ALA A 84 1.042 -2.653 -3.668 1.00 0.42 C ATOM 0 H ALA A 84 2.407 -1.491 -1.988 1.00 0.34 H new ATOM 0 HA ALA A 84 0.253 -3.356 -1.815 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.500 -3.385 -4.267 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.473 -1.724 -3.627 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.015 -2.463 -4.121 1.00 0.42 H new ATOM 1333 N LYS A 85 3.303 -4.501 -2.263 1.00 0.42 N ATOM 1334 CA LYS A 85 4.099 -5.736 -2.248 1.00 0.51 C ATOM 1335 C LYS A 85 3.542 -6.707 -1.222 1.00 0.50 C ATOM 1336 O LYS A 85 3.673 -7.924 -1.350 1.00 0.67 O ATOM 1337 CB LYS A 85 5.561 -5.431 -1.938 1.00 0.62 C ATOM 1338 CG LYS A 85 6.512 -5.899 -3.025 1.00 1.18 C ATOM 1339 CD LYS A 85 6.312 -5.138 -4.325 1.00 1.42 C ATOM 1340 CE LYS A 85 6.728 -3.680 -4.191 1.00 1.55 C ATOM 1341 NZ LYS A 85 6.434 -2.907 -5.428 1.00 2.69 N ATOM 0 H LYS A 85 3.854 -3.643 -2.251 1.00 0.42 H new ATOM 0 HA LYS A 85 4.042 -6.192 -3.236 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.680 -4.357 -1.798 1.00 0.62 H new ATOM 0 HB3 LYS A 85 5.833 -5.907 -0.996 1.00 0.62 H new ATOM 0 HG2 LYS A 85 7.540 -5.773 -2.686 1.00 1.18 H new ATOM 0 HG3 LYS A 85 6.363 -6.964 -3.202 1.00 1.18 H new ATOM 0 HD2 LYS A 85 6.892 -5.611 -5.117 1.00 1.42 H new ATOM 0 HD3 LYS A 85 5.264 -5.192 -4.621 1.00 1.42 H new ATOM 0 HE2 LYS A 85 6.206 -3.229 -3.347 1.00 1.55 H new ATOM 0 HE3 LYS A 85 7.794 -3.625 -3.972 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 7.175 -2.192 -5.575 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 6.409 -3.552 -6.243 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 5.512 -2.436 -5.332 1.00 2.69 H new ATOM 1355 N GLU A 86 2.910 -6.146 -0.210 1.00 0.45 N ATOM 1356 CA GLU A 86 2.315 -6.918 0.858 1.00 0.45 C ATOM 1357 C GLU A 86 0.961 -7.456 0.444 1.00 0.44 C ATOM 1358 O GLU A 86 0.717 -8.661 0.485 1.00 0.46 O ATOM 1359 CB GLU A 86 2.170 -6.045 2.094 1.00 0.48 C ATOM 1360 CG GLU A 86 3.309 -5.080 2.263 1.00 0.98 C ATOM 1361 CD GLU A 86 4.657 -5.762 2.278 1.00 2.08 C ATOM 1362 OE1 GLU A 86 4.688 -7.005 2.333 1.00 2.61 O ATOM 1363 OE2 GLU A 86 5.682 -5.053 2.229 1.00 2.91 O ATOM 0 H GLU A 86 2.795 -5.138 -0.107 1.00 0.45 H new ATOM 0 HA GLU A 86 2.964 -7.764 1.082 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.235 -5.489 2.032 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.105 -6.681 2.977 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.285 -4.351 1.453 1.00 0.98 H new ATOM 0 HG3 GLU A 86 3.176 -4.527 3.193 1.00 0.98 H new ATOM 1370 N VAL A 87 0.080 -6.550 0.045 1.00 0.44 N ATOM 1371 CA VAL A 87 -1.248 -6.939 -0.381 1.00 0.46 C ATOM 1372 C VAL A 87 -1.212 -7.620 -1.749 1.00 0.47 C ATOM 1373 O VAL A 87 -2.239 -8.088 -2.242 1.00 0.54 O ATOM 1374 CB VAL A 87 -2.210 -5.736 -0.431 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -3.645 -6.212 -0.521 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -2.013 -4.840 0.782 1.00 0.81 C ATOM 0 H VAL A 87 0.263 -5.547 0.009 1.00 0.44 H new ATOM 0 HA VAL A 87 -1.619 -7.646 0.361 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.986 -5.151 -1.323 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -4.312 -5.351 -0.555 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -3.775 -6.808 -1.424 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.882 -6.820 0.352 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.702 -3.997 0.727 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -2.208 -5.410 1.691 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.988 -4.471 0.799 1.00 0.81 H new ATOM 1386 N ARG A 88 -0.029 -7.671 -2.365 1.00 0.50 N ATOM 1387 CA ARG A 88 0.118 -8.307 -3.666 1.00 0.52 C ATOM 1388 C ARG A 88 0.048 -9.823 -3.531 1.00 0.50 C ATOM 1389 O ARG A 88 -0.913 -10.446 -3.980 1.00 0.59 O ATOM 1390 CB ARG A 88 1.437 -7.895 -4.320 1.00 0.56 C ATOM 1391 CG ARG A 88 1.464 -8.114 -5.823 1.00 0.67 C ATOM 1392 CD ARG A 88 1.304 -9.584 -6.182 1.00 1.33 C ATOM 1393 NE ARG A 88 1.548 -9.830 -7.601 1.00 1.83 N ATOM 1394 CZ ARG A 88 1.672 -11.045 -8.126 1.00 2.72 C ATOM 1395 NH1 ARG A 88 1.576 -12.118 -7.352 1.00 3.25 N ATOM 1396 NH2 ARG A 88 1.890 -11.189 -9.426 1.00 3.50 N ATOM 0 H ARG A 88 0.833 -7.281 -1.983 1.00 0.50 H new ATOM 0 HA ARG A 88 -0.703 -7.976 -4.302 1.00 0.52 H new ATOM 0 HB2 ARG A 88 1.623 -6.842 -4.111 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.251 -8.459 -3.864 1.00 0.56 H new ATOM 0 HG2 ARG A 88 0.665 -7.537 -6.289 1.00 0.67 H new ATOM 0 HG3 ARG A 88 2.405 -7.741 -6.228 1.00 0.67 H new ATOM 0 HD2 ARG A 88 1.996 -10.180 -5.587 1.00 1.33 H new ATOM 0 HD3 ARG A 88 0.297 -9.913 -5.925 1.00 1.33 H new ATOM 0 HE ARG A 88 1.628 -9.026 -8.223 1.00 1.83 H new ATOM 0 HH11 ARG A 88 1.407 -12.012 -6.352 1.00 3.25 H new ATOM 0 HH12 ARG A 88 1.671 -13.049 -7.757 1.00 3.25 H new ATOM 0 HH21 ARG A 88 1.963 -10.367 -10.025 1.00 3.50 H new ATOM 0 HH22 ARG A 88 1.985 -12.122 -9.827 1.00 3.50 H new ATOM 1410 N LYS A 89 1.068 -10.420 -2.911 1.00 0.47 N ATOM 1411 CA LYS A 89 1.082 -11.867 -2.712 1.00 0.49 C ATOM 1412 C LYS A 89 -0.189 -12.268 -1.990 1.00 0.49 C ATOM 1413 O LYS A 89 -0.796 -13.304 -2.265 1.00 0.55 O ATOM 1414 CB LYS A 89 2.323 -12.303 -1.908 1.00 0.56 C ATOM 1415 CG LYS A 89 2.135 -12.350 -0.386 1.00 0.70 C ATOM 1416 CD LYS A 89 1.534 -13.666 0.077 1.00 1.55 C ATOM 1417 CE LYS A 89 0.928 -13.545 1.469 1.00 2.44 C ATOM 1418 NZ LYS A 89 1.909 -13.876 2.541 1.00 3.29 N ATOM 0 H LYS A 89 1.884 -9.930 -2.543 1.00 0.47 H new ATOM 0 HA LYS A 89 1.130 -12.365 -3.680 1.00 0.49 H new ATOM 0 HB2 LYS A 89 2.628 -13.292 -2.250 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.141 -11.620 -2.136 1.00 0.56 H new ATOM 0 HG2 LYS A 89 3.098 -12.201 0.102 1.00 0.70 H new ATOM 0 HG3 LYS A 89 1.489 -11.528 -0.076 1.00 0.70 H new ATOM 0 HD2 LYS A 89 0.767 -13.985 -0.628 1.00 1.55 H new ATOM 0 HD3 LYS A 89 2.304 -14.437 0.080 1.00 1.55 H new ATOM 0 HE2 LYS A 89 0.560 -12.529 1.616 1.00 2.44 H new ATOM 0 HE3 LYS A 89 0.068 -14.210 1.548 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 1.475 -14.536 3.217 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 2.750 -14.318 2.118 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 2.188 -13.006 3.037 1.00 3.29 H new ATOM 1432 N GLU A 90 -0.571 -11.408 -1.059 1.00 0.47 N ATOM 1433 CA GLU A 90 -1.758 -11.605 -0.263 1.00 0.52 C ATOM 1434 C GLU A 90 -2.973 -11.863 -1.162 1.00 0.55 C ATOM 1435 O GLU A 90 -3.973 -12.427 -0.719 1.00 0.62 O ATOM 1436 CB GLU A 90 -1.950 -10.389 0.653 1.00 0.55 C ATOM 1437 CG GLU A 90 -1.314 -10.563 2.021 1.00 0.62 C ATOM 1438 CD GLU A 90 -1.911 -11.711 2.810 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -1.527 -12.872 2.553 1.00 1.95 O ATOM 1440 OE2 GLU A 90 -2.757 -11.449 3.690 1.00 1.97 O ATOM 0 H GLU A 90 -0.060 -10.553 -0.838 1.00 0.47 H new ATOM 0 HA GLU A 90 -1.648 -12.489 0.366 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -1.524 -9.509 0.171 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -3.016 -10.200 0.777 1.00 0.55 H new ATOM 0 HG2 GLU A 90 -0.244 -10.731 1.899 1.00 0.62 H new ATOM 0 HG3 GLU A 90 -1.429 -9.640 2.589 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.871 -11.456 -2.434 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.940 -11.677 -3.404 1.00 0.61 C ATOM 1449 C LYS A 91 -4.183 -13.171 -3.607 1.00 0.63 C ATOM 1450 O LYS A 91 -5.307 -13.646 -3.485 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.606 -10.981 -4.732 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.776 -11.808 -5.709 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.629 -11.099 -7.047 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.889 -11.962 -8.056 1.00 0.70 C ATOM 1455 NZ LYS A 91 -1.730 -11.274 -9.368 1.00 1.38 N ATOM 0 H LYS A 91 -2.056 -10.972 -2.811 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.861 -11.241 -3.016 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.539 -10.699 -5.221 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -3.069 -10.058 -4.515 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.790 -11.995 -5.284 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.248 -12.779 -5.859 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.615 -10.846 -7.436 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -2.092 -10.161 -6.906 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.907 -12.220 -7.661 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -2.431 -12.897 -8.200 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -1.220 -11.897 -10.027 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.668 -11.050 -9.758 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -1.191 -10.395 -9.236 1.00 1.38 H new ATOM 1469 N ALA A 92 -3.119 -13.899 -3.909 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.209 -15.339 -4.135 1.00 0.66 C ATOM 1471 C ALA A 92 -3.232 -16.128 -2.835 1.00 0.64 C ATOM 1472 O ALA A 92 -3.867 -17.178 -2.759 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.067 -15.810 -5.023 1.00 0.75 C ATOM 0 H ALA A 92 -2.178 -13.517 -4.004 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.156 -15.526 -4.641 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.149 -16.885 -5.181 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.117 -15.297 -5.983 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.115 -15.586 -4.541 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.535 -15.644 -1.816 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.522 -16.347 -0.536 1.00 0.66 C ATOM 1481 C LEU A 93 -3.778 -16.037 0.265 1.00 0.59 C ATOM 1482 O LEU A 93 -4.194 -16.825 1.114 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.297 -15.992 0.303 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.997 -17.026 1.389 1.00 0.82 C ATOM 1485 CD1 LEU A 93 -0.133 -18.150 0.842 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -0.338 -16.372 2.594 1.00 0.95 C ATOM 0 H LEU A 93 -1.982 -14.787 -1.845 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.485 -17.411 -0.767 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.430 -15.898 -0.351 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.452 -15.019 0.769 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.944 -17.457 1.716 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.067 -18.873 1.633 1.00 1.03 H new ATOM 0 HD12 LEU A 93 -0.655 -18.644 0.022 1.00 1.03 H new ATOM 0 HD13 LEU A 93 0.809 -17.740 0.478 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -0.135 -17.128 3.352 1.00 0.95 H new ATOM 0 HD22 LEU A 93 0.598 -15.904 2.288 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -1.004 -15.614 3.006 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.379 -14.885 -0.009 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.581 -14.482 0.697 1.00 0.52 C ATOM 1500 C GLY A 94 -6.570 -15.598 0.880 1.00 0.52 C ATOM 1501 O GLY A 94 -7.221 -15.682 1.919 1.00 0.57 O ATOM 0 H GLY A 94 -4.054 -14.220 -0.711 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.304 -14.088 1.675 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -6.059 -13.669 0.150 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.719 -16.427 -0.145 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.659 -17.532 -0.090 1.00 0.57 C ATOM 1507 C ILE A 95 -7.268 -18.552 0.963 1.00 0.61 C ATOM 1508 O ILE A 95 -6.958 -19.698 0.644 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.799 -18.241 -1.447 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.428 -18.600 -2.016 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.569 -17.370 -2.412 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -6.496 -19.439 -3.273 1.00 1.68 C ATOM 0 H ILE A 95 -6.201 -16.353 -1.021 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.620 -17.093 0.177 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.353 -19.168 -1.298 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.881 -17.682 -2.231 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -5.859 -19.140 -1.259 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -8.662 -17.882 -3.370 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.562 -17.170 -2.009 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -8.039 -16.428 -2.554 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -5.486 -19.656 -3.621 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -7.015 -20.374 -3.059 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -7.037 -18.893 -4.046 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.279 -18.131 2.222 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.960 -19.031 3.314 1.00 0.74 C ATOM 1526 C ARG A 96 -7.939 -20.195 3.276 1.00 0.82 C ATOM 1527 O ARG A 96 -7.644 -21.298 3.737 1.00 0.93 O ATOM 1528 CB ARG A 96 -7.028 -18.291 4.651 1.00 0.84 C ATOM 1529 CG ARG A 96 -8.408 -17.743 4.982 1.00 1.65 C ATOM 1530 CD ARG A 96 -9.231 -18.747 5.772 1.00 2.45 C ATOM 1531 NE ARG A 96 -8.746 -18.895 7.142 1.00 2.91 N ATOM 1532 CZ ARG A 96 -9.310 -19.698 8.040 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -10.374 -20.418 7.713 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -8.810 -19.780 9.265 1.00 4.48 N ATOM 0 H ARG A 96 -7.504 -17.178 2.507 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.944 -19.411 3.206 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -6.716 -18.968 5.446 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.315 -17.467 4.636 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -8.307 -16.822 5.556 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -8.930 -17.488 4.060 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -10.273 -18.428 5.789 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -9.202 -19.714 5.271 1.00 2.45 H new ATOM 0 HE ARG A 96 -7.930 -18.353 7.426 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -10.761 -20.357 6.771 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -10.805 -21.033 8.403 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -7.992 -19.227 9.520 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -9.244 -20.396 9.953 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.115 -19.920 2.715 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.153 -20.916 2.558 1.00 0.95 C ATOM 1550 C LYS A 97 -9.985 -21.638 1.227 1.00 0.94 C ATOM 1551 O LYS A 97 -10.613 -21.284 0.230 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.527 -20.245 2.629 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.750 -19.144 1.589 1.00 0.99 C ATOM 1554 CD LYS A 97 -12.696 -18.085 2.120 1.00 1.56 C ATOM 1555 CE LYS A 97 -11.925 -16.936 2.738 1.00 1.85 C ATOM 1556 NZ LYS A 97 -12.743 -16.173 3.719 1.00 2.92 N ATOM 0 H LYS A 97 -9.367 -18.998 2.359 1.00 0.83 H new ATOM 0 HA LYS A 97 -10.075 -21.647 3.363 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.296 -21.007 2.504 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -11.659 -19.820 3.624 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -10.796 -18.687 1.326 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.158 -19.577 0.676 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -13.324 -17.714 1.311 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -13.361 -18.525 2.864 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -11.034 -17.323 3.233 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -11.585 -16.264 1.950 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -12.160 -15.429 4.153 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -13.553 -15.738 3.232 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -13.089 -16.817 4.458 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.122 -22.649 1.220 1.00 0.97 N ATOM 1571 CA LYS A 98 -8.858 -23.421 0.013 1.00 1.06 C ATOM 1572 C LYS A 98 -9.582 -24.762 0.054 1.00 1.22 C ATOM 1573 O LYS A 98 -8.986 -25.740 0.553 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.353 -23.645 -0.154 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.544 -22.358 -0.252 1.00 1.07 C ATOM 1576 CD LYS A 98 -5.096 -22.642 -0.611 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.298 -21.357 -0.758 1.00 2.00 C ATOM 1578 NZ LYS A 98 -2.869 -21.625 -1.079 1.00 2.74 N ATOM 1579 OXT LYS A 98 -10.739 -24.824 -0.413 1.00 1.70 O ATOM 0 H LYS A 98 -8.594 -22.952 2.038 1.00 0.97 H new ATOM 0 HA LYS A 98 -9.232 -22.854 -0.840 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -6.987 -24.229 0.690 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -7.182 -24.239 -1.051 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -6.986 -21.705 -1.004 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -6.588 -21.825 0.698 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -4.644 -23.266 0.160 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -5.055 -23.206 -1.543 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -4.738 -20.744 -1.545 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -4.361 -20.783 0.166 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -2.359 -20.723 -1.171 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -2.442 -22.188 -0.316 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -2.807 -22.151 -1.974 1.00 2.74 H new ATOM 1594 N MET B 1 18.375 -4.585 -3.489 1.00 0.65 N ATOM 1595 CA MET B 1 17.407 -5.692 -3.263 1.00 0.59 C ATOM 1596 C MET B 1 16.051 -5.354 -3.843 1.00 0.59 C ATOM 1597 O MET B 1 15.667 -4.187 -3.932 1.00 0.60 O ATOM 1598 CB MET B 1 17.214 -5.958 -1.777 1.00 0.58 C ATOM 1599 CG MET B 1 18.129 -7.018 -1.168 1.00 0.60 C ATOM 1600 SD MET B 1 19.815 -7.000 -1.819 1.00 0.94 S ATOM 1601 CE MET B 1 19.896 -8.603 -2.620 1.00 1.18 C ATOM 0 H1 MET B 1 19.297 -4.842 -3.082 1.00 0.65 H new ATOM 0 H2 MET B 1 18.481 -4.420 -4.510 1.00 0.65 H new ATOM 0 H3 MET B 1 18.024 -3.719 -3.033 1.00 0.65 H new ATOM 0 HA MET B 1 17.821 -6.573 -3.753 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.363 -5.023 -1.237 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.180 -6.260 -1.612 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.166 -6.873 -0.088 1.00 0.60 H new ATOM 0 HG3 MET B 1 17.694 -8.002 -1.343 1.00 0.60 H new ATOM 0 HE1 MET B 1 20.747 -9.161 -2.231 1.00 1.18 H new ATOM 0 HE2 MET B 1 18.978 -9.156 -2.421 1.00 1.18 H new ATOM 0 HE3 MET B 1 20.012 -8.467 -3.695 1.00 1.18 H new ATOM 1613 N ALA B 2 15.336 -6.385 -4.238 1.00 0.61 N ATOM 1614 CA ALA B 2 14.005 -6.220 -4.781 1.00 0.64 C ATOM 1615 C ALA B 2 12.952 -6.826 -3.860 1.00 0.62 C ATOM 1616 O ALA B 2 13.098 -7.959 -3.402 1.00 0.71 O ATOM 1617 CB ALA B 2 13.904 -6.810 -6.175 1.00 0.72 C ATOM 0 H ALA B 2 15.657 -7.352 -4.193 1.00 0.61 H new ATOM 0 HA ALA B 2 13.812 -5.150 -4.853 1.00 0.64 H new ATOM 0 HB1 ALA B 2 12.893 -6.671 -6.557 1.00 0.72 H new ATOM 0 HB2 ALA B 2 14.613 -6.309 -6.834 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.134 -7.875 -6.137 1.00 0.72 H new ATOM 1623 N ALA B 3 11.894 -6.072 -3.590 1.00 0.73 N ATOM 1624 CA ALA B 3 10.809 -6.561 -2.752 1.00 0.75 C ATOM 1625 C ALA B 3 10.078 -7.670 -3.502 1.00 0.65 C ATOM 1626 O ALA B 3 9.184 -7.408 -4.306 1.00 0.81 O ATOM 1627 CB ALA B 3 9.865 -5.427 -2.405 1.00 1.04 C ATOM 0 H ALA B 3 11.765 -5.122 -3.938 1.00 0.73 H new ATOM 0 HA ALA B 3 11.206 -6.959 -1.818 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.057 -5.805 -1.778 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.410 -4.652 -1.867 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.448 -5.008 -3.321 1.00 1.04 H new ATOM 1633 N GLU B 4 10.478 -8.908 -3.238 1.00 0.62 N ATOM 1634 CA GLU B 4 9.904 -10.067 -3.914 1.00 0.75 C ATOM 1635 C GLU B 4 8.446 -10.289 -3.518 1.00 0.74 C ATOM 1636 O GLU B 4 7.540 -9.909 -4.260 1.00 0.86 O ATOM 1637 CB GLU B 4 10.751 -11.304 -3.608 1.00 0.97 C ATOM 1638 CG GLU B 4 10.278 -12.580 -4.290 1.00 1.45 C ATOM 1639 CD GLU B 4 9.788 -12.356 -5.709 1.00 2.42 C ATOM 1640 OE1 GLU B 4 8.763 -11.662 -5.881 1.00 3.02 O ATOM 1641 OE2 GLU B 4 10.428 -12.877 -6.646 1.00 3.20 O ATOM 0 H GLU B 4 11.202 -9.137 -2.557 1.00 0.62 H new ATOM 0 HA GLU B 4 9.913 -9.881 -4.988 1.00 0.75 H new ATOM 0 HB2 GLU B 4 11.780 -11.107 -3.908 1.00 0.97 H new ATOM 0 HB3 GLU B 4 10.759 -11.465 -2.530 1.00 0.97 H new ATOM 0 HG2 GLU B 4 11.096 -13.300 -4.305 1.00 1.45 H new ATOM 0 HG3 GLU B 4 9.474 -13.022 -3.701 1.00 1.45 H new ATOM 1648 N THR B 5 8.209 -10.896 -2.360 1.00 0.70 N ATOM 1649 CA THR B 5 6.840 -11.146 -1.923 1.00 0.75 C ATOM 1650 C THR B 5 6.306 -10.021 -1.026 1.00 0.62 C ATOM 1651 O THR B 5 5.826 -9.006 -1.528 1.00 0.79 O ATOM 1652 CB THR B 5 6.709 -12.502 -1.204 1.00 0.92 C ATOM 1653 OG1 THR B 5 7.106 -13.564 -2.077 1.00 1.42 O ATOM 1654 CG2 THR B 5 5.285 -12.733 -0.740 1.00 1.08 C ATOM 0 H THR B 5 8.932 -11.219 -1.717 1.00 0.70 H new ATOM 0 HA THR B 5 6.232 -11.175 -2.827 1.00 0.75 H new ATOM 0 HB THR B 5 7.362 -12.486 -0.332 1.00 0.92 H new ATOM 0 HG1 THR B 5 6.503 -14.327 -1.959 1.00 1.42 H new ATOM 0 HG21 THR B 5 5.219 -13.697 -0.235 1.00 1.08 H new ATOM 0 HG22 THR B 5 4.994 -11.941 -0.050 1.00 1.08 H new ATOM 0 HG23 THR B 5 4.616 -12.727 -1.601 1.00 1.08 H new ATOM 1662 N LEU B 6 6.397 -10.192 0.297 1.00 0.54 N ATOM 1663 CA LEU B 6 5.892 -9.192 1.228 1.00 0.50 C ATOM 1664 C LEU B 6 7.019 -8.429 1.887 1.00 0.49 C ATOM 1665 O LEU B 6 7.810 -9.006 2.633 1.00 0.56 O ATOM 1666 CB LEU B 6 5.069 -9.846 2.341 1.00 0.60 C ATOM 1667 CG LEU B 6 4.004 -10.831 1.891 1.00 0.75 C ATOM 1668 CD1 LEU B 6 4.492 -12.257 2.113 1.00 1.15 C ATOM 1669 CD2 LEU B 6 2.703 -10.582 2.641 1.00 1.07 C ATOM 0 H LEU B 6 6.814 -11.011 0.740 1.00 0.54 H new ATOM 0 HA LEU B 6 5.273 -8.512 0.643 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.752 -10.363 3.015 1.00 0.60 H new ATOM 0 HB3 LEU B 6 4.586 -9.058 2.919 1.00 0.60 H new ATOM 0 HG LEU B 6 3.814 -10.690 0.827 1.00 0.75 H new ATOM 0 HD11 LEU B 6 3.724 -12.959 1.788 1.00 1.15 H new ATOM 0 HD12 LEU B 6 5.403 -12.424 1.538 1.00 1.15 H new ATOM 0 HD13 LEU B 6 4.699 -12.410 3.172 1.00 1.15 H new ATOM 0 HD21 LEU B 6 1.949 -11.295 2.308 1.00 1.07 H new ATOM 0 HD22 LEU B 6 2.871 -10.704 3.711 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.356 -9.568 2.442 1.00 1.07 H new ATOM 1681 N THR B 7 7.105 -7.138 1.620 1.00 0.50 N ATOM 1682 CA THR B 7 8.119 -6.344 2.268 1.00 0.53 C ATOM 1683 C THR B 7 7.677 -6.103 3.704 1.00 0.48 C ATOM 1684 O THR B 7 6.534 -6.395 4.053 1.00 0.55 O ATOM 1685 CB THR B 7 8.395 -5.006 1.539 1.00 0.60 C ATOM 1686 OG1 THR B 7 7.392 -4.770 0.544 1.00 0.83 O ATOM 1687 CG2 THR B 7 9.780 -4.993 0.883 1.00 0.80 C ATOM 0 H THR B 7 6.499 -6.632 0.974 1.00 0.50 H new ATOM 0 HA THR B 7 9.062 -6.890 2.241 1.00 0.53 H new ATOM 0 HB THR B 7 8.366 -4.214 2.287 1.00 0.60 H new ATOM 0 HG1 THR B 7 6.542 -4.555 0.981 1.00 0.83 H new ATOM 0 HG21 THR B 7 9.936 -4.038 0.382 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.546 -5.132 1.646 1.00 0.80 H new ATOM 0 HG23 THR B 7 9.845 -5.800 0.154 1.00 0.80 H new ATOM 1695 N GLU B 8 8.564 -5.598 4.551 1.00 0.46 N ATOM 1696 CA GLU B 8 8.208 -5.363 5.953 1.00 0.45 C ATOM 1697 C GLU B 8 6.846 -4.680 6.067 1.00 0.41 C ATOM 1698 O GLU B 8 6.133 -4.838 7.058 1.00 0.42 O ATOM 1699 CB GLU B 8 9.258 -4.509 6.653 1.00 0.50 C ATOM 1700 CG GLU B 8 10.692 -4.842 6.268 1.00 0.52 C ATOM 1701 CD GLU B 8 11.009 -6.319 6.407 1.00 1.09 C ATOM 1702 OE1 GLU B 8 10.584 -7.103 5.533 1.00 1.94 O ATOM 1703 OE2 GLU B 8 11.682 -6.692 7.391 1.00 1.67 O ATOM 0 H GLU B 8 9.521 -5.345 4.303 1.00 0.46 H new ATOM 0 HA GLU B 8 8.161 -6.337 6.439 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.067 -3.460 6.426 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.146 -4.627 7.731 1.00 0.50 H new ATOM 0 HG2 GLU B 8 10.868 -4.532 5.238 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.375 -4.268 6.895 1.00 0.52 H new ATOM 1710 N LEU B 9 6.505 -3.916 5.038 1.00 0.41 N ATOM 1711 CA LEU B 9 5.236 -3.197 4.992 1.00 0.40 C ATOM 1712 C LEU B 9 4.054 -4.103 5.288 1.00 0.38 C ATOM 1713 O LEU B 9 3.008 -3.632 5.725 1.00 0.40 O ATOM 1714 CB LEU B 9 5.051 -2.539 3.625 1.00 0.46 C ATOM 1715 CG LEU B 9 6.316 -1.948 3.010 1.00 0.58 C ATOM 1716 CD1 LEU B 9 5.970 -1.022 1.862 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.149 -1.234 4.059 1.00 0.93 C ATOM 0 H LEU B 9 7.094 -3.777 4.217 1.00 0.41 H new ATOM 0 HA LEU B 9 5.271 -2.432 5.768 1.00 0.40 H new ATOM 0 HB2 LEU B 9 4.643 -3.279 2.936 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.308 -1.747 3.719 1.00 0.46 H new ATOM 0 HG LEU B 9 6.916 -2.767 2.613 1.00 0.58 H new ATOM 0 HD11 LEU B 9 6.886 -0.611 1.437 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.432 -1.579 1.095 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.343 -0.209 2.227 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.045 -0.822 3.594 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.565 -0.426 4.500 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.437 -1.940 4.838 1.00 0.93 H new ATOM 1729 N GLU B 10 4.203 -5.401 5.040 1.00 0.38 N ATOM 1730 CA GLU B 10 3.115 -6.333 5.313 1.00 0.39 C ATOM 1731 C GLU B 10 2.696 -6.203 6.770 1.00 0.38 C ATOM 1732 O GLU B 10 1.561 -6.509 7.134 1.00 0.40 O ATOM 1733 CB GLU B 10 3.516 -7.770 4.979 1.00 0.45 C ATOM 1734 CG GLU B 10 4.949 -8.106 5.364 1.00 0.45 C ATOM 1735 CD GLU B 10 5.036 -9.271 6.330 1.00 0.55 C ATOM 1736 OE1 GLU B 10 4.974 -10.431 5.870 1.00 1.26 O ATOM 1737 OE2 GLU B 10 5.165 -9.024 7.548 1.00 1.16 O ATOM 0 H GLU B 10 5.049 -5.825 4.658 1.00 0.38 H new ATOM 0 HA GLU B 10 2.267 -6.084 4.675 1.00 0.39 H new ATOM 0 HB2 GLU B 10 2.841 -8.455 5.491 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.387 -7.935 3.909 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.517 -8.342 4.464 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.415 -7.230 5.815 1.00 0.45 H new ATOM 1744 N ALA B 11 3.628 -5.752 7.607 1.00 0.39 N ATOM 1745 CA ALA B 11 3.327 -5.516 9.008 1.00 0.39 C ATOM 1746 C ALA B 11 2.384 -4.333 9.089 1.00 0.36 C ATOM 1747 O ALA B 11 1.496 -4.275 9.940 1.00 0.39 O ATOM 1748 CB ALA B 11 4.597 -5.245 9.800 1.00 0.42 C ATOM 0 H ALA B 11 4.590 -5.545 7.337 1.00 0.39 H new ATOM 0 HA ALA B 11 2.861 -6.401 9.442 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.344 -5.072 10.846 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.263 -6.105 9.726 1.00 0.42 H new ATOM 0 HB3 ALA B 11 5.096 -4.364 9.397 1.00 0.42 H new ATOM 1754 N ALA B 12 2.596 -3.388 8.178 1.00 0.33 N ATOM 1755 CA ALA B 12 1.757 -2.212 8.084 1.00 0.32 C ATOM 1756 C ALA B 12 0.379 -2.622 7.592 1.00 0.33 C ATOM 1757 O ALA B 12 -0.630 -2.025 7.967 1.00 0.34 O ATOM 1758 CB ALA B 12 2.377 -1.182 7.152 1.00 0.34 C ATOM 0 H ALA B 12 3.350 -3.421 7.492 1.00 0.33 H new ATOM 0 HA ALA B 12 1.666 -1.754 9.069 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.730 -0.306 7.096 1.00 0.34 H new ATOM 0 HB2 ALA B 12 3.354 -0.887 7.534 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.491 -1.613 6.157 1.00 0.34 H new ATOM 1764 N ILE B 13 0.344 -3.652 6.742 1.00 0.36 N ATOM 1765 CA ILE B 13 -0.920 -4.156 6.230 1.00 0.40 C ATOM 1766 C ILE B 13 -1.834 -4.509 7.407 1.00 0.39 C ATOM 1767 O ILE B 13 -3.055 -4.553 7.269 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.727 -5.377 5.276 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -0.445 -4.883 3.857 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -1.940 -6.309 5.261 1.00 0.99 C ATOM 1771 CD1 ILE B 13 0.694 -3.892 3.775 1.00 2.05 C ATOM 0 H ILE B 13 1.170 -4.144 6.401 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.386 -3.373 5.631 1.00 0.40 H new ATOM 0 HB ILE B 13 0.119 -5.950 5.654 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -0.217 -5.739 3.222 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.347 -4.421 3.456 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -1.752 -7.140 4.582 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -2.116 -6.694 6.266 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -2.818 -5.758 4.925 1.00 0.99 H new ATOM 0 HD11 ILE B 13 0.836 -3.586 2.739 1.00 2.05 H new ATOM 0 HD12 ILE B 13 0.460 -3.018 4.383 1.00 2.05 H new ATOM 0 HD13 ILE B 13 1.608 -4.357 4.145 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.222 -4.766 8.564 1.00 0.39 N ATOM 1784 CA GLU B 14 -1.968 -5.098 9.766 1.00 0.42 C ATOM 1785 C GLU B 14 -2.912 -3.965 10.144 1.00 0.38 C ATOM 1786 O GLU B 14 -3.989 -4.205 10.690 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.011 -5.390 10.923 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.115 -6.595 10.683 1.00 0.79 C ATOM 1789 CD GLU B 14 0.780 -6.902 11.868 1.00 1.46 C ATOM 1790 OE1 GLU B 14 0.339 -7.651 12.765 1.00 2.02 O ATOM 1791 OE2 GLU B 14 1.921 -6.396 11.898 1.00 2.25 O ATOM 0 H GLU B 14 -0.210 -4.749 8.688 1.00 0.39 H new ATOM 0 HA GLU B 14 -2.560 -5.990 9.563 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.387 -4.513 11.098 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.591 -5.554 11.831 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -0.734 -7.465 10.465 1.00 0.79 H new ATOM 0 HG3 GLU B 14 0.503 -6.414 9.803 1.00 0.79 H new ATOM 1798 N THR B 15 -2.514 -2.724 9.857 1.00 0.30 N ATOM 1799 CA THR B 15 -3.344 -1.589 10.170 1.00 0.28 C ATOM 1800 C THR B 15 -4.463 -1.450 9.149 1.00 0.28 C ATOM 1801 O THR B 15 -5.638 -1.605 9.466 1.00 0.34 O ATOM 1802 CB THR B 15 -2.531 -0.284 10.210 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.455 -0.405 11.149 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.415 0.894 10.593 1.00 0.32 C ATOM 0 H THR B 15 -1.626 -2.494 9.411 1.00 0.30 H new ATOM 0 HA THR B 15 -3.767 -1.763 11.159 1.00 0.28 H new ATOM 0 HB THR B 15 -2.125 -0.104 9.214 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.859 0.368 11.065 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.817 1.805 10.615 1.00 0.32 H new ATOM 0 HG22 THR B 15 -4.215 1.002 9.861 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.847 0.720 11.579 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.072 -1.180 7.913 1.00 0.27 N ATOM 1813 CA VAL B 16 -5.012 -1.019 6.806 1.00 0.28 C ATOM 1814 C VAL B 16 -6.115 -2.076 6.835 1.00 0.30 C ATOM 1815 O VAL B 16 -7.289 -1.770 6.624 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.263 -1.113 5.474 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.557 -2.449 5.387 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -5.206 -0.937 4.301 1.00 0.33 C ATOM 0 H VAL B 16 -3.094 -1.066 7.645 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.478 -0.039 6.912 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.528 -0.309 5.430 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -3.023 -2.517 4.439 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.848 -2.540 6.210 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.291 -3.253 5.449 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.645 -1.009 3.369 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.968 -1.716 4.327 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.684 0.041 4.362 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.727 -3.318 7.096 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.672 -4.423 7.154 1.00 0.33 C ATOM 1830 C VAL B 17 -7.613 -4.258 8.347 1.00 0.30 C ATOM 1831 O VAL B 17 -8.812 -4.520 8.260 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.945 -5.775 7.271 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.208 -5.883 8.598 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.928 -6.924 7.105 1.00 0.50 C ATOM 0 H VAL B 17 -4.758 -3.585 7.272 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.246 -4.411 6.227 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.207 -5.835 6.471 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.703 -6.847 8.656 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.472 -5.082 8.672 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -5.921 -5.797 9.418 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.397 -7.872 7.190 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.692 -6.864 7.880 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.401 -6.860 6.125 1.00 0.50 H new ATOM 1844 N SER B 18 -7.046 -3.840 9.473 1.00 0.33 N ATOM 1845 CA SER B 18 -7.818 -3.642 10.695 1.00 0.40 C ATOM 1846 C SER B 18 -8.524 -2.284 10.722 1.00 0.44 C ATOM 1847 O SER B 18 -9.387 -2.054 11.561 1.00 0.59 O ATOM 1848 CB SER B 18 -6.911 -3.781 11.918 1.00 0.51 C ATOM 1849 OG SER B 18 -6.354 -5.081 11.997 1.00 1.32 O ATOM 0 H SER B 18 -6.052 -3.631 9.565 1.00 0.33 H new ATOM 0 HA SER B 18 -8.589 -4.412 10.718 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.111 -3.042 11.867 1.00 0.51 H new ATOM 0 HB3 SER B 18 -7.481 -3.571 12.823 1.00 0.51 H new ATOM 0 HG SER B 18 -5.464 -5.081 11.588 1.00 1.32 H new ATOM 1855 N THR B 19 -8.093 -1.359 9.871 1.00 0.37 N ATOM 1856 CA THR B 19 -8.712 -0.033 9.810 1.00 0.45 C ATOM 1857 C THR B 19 -9.930 0.017 8.879 1.00 0.46 C ATOM 1858 O THR B 19 -11.061 -0.227 9.303 1.00 0.53 O ATOM 1859 CB THR B 19 -7.704 1.064 9.405 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.145 0.777 8.116 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.589 1.182 10.433 1.00 0.49 C ATOM 0 H THR B 19 -7.323 -1.498 9.217 1.00 0.37 H new ATOM 0 HA THR B 19 -9.057 0.166 10.825 1.00 0.45 H new ATOM 0 HB THR B 19 -8.239 2.013 9.360 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.635 1.552 7.801 1.00 0.42 H new ATOM 0 HG21 THR B 19 -5.892 1.961 10.126 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.014 1.438 11.403 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.061 0.231 10.508 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.682 0.342 7.608 1.00 0.45 N ATOM 1870 CA PHE B 20 -10.727 0.463 6.600 1.00 0.53 C ATOM 1871 C PHE B 20 -11.318 -0.873 6.237 1.00 0.53 C ATOM 1872 O PHE B 20 -12.531 -1.001 6.092 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.128 1.125 5.365 1.00 0.60 C ATOM 1874 CG PHE B 20 -10.938 1.026 4.106 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.319 1.009 4.144 1.00 1.59 C ATOM 1876 CD2 PHE B 20 -10.301 0.962 2.880 1.00 1.26 C ATOM 1877 CE1 PHE B 20 -13.051 0.928 2.975 1.00 1.77 C ATOM 1878 CE2 PHE B 20 -11.025 0.884 1.709 1.00 1.37 C ATOM 1879 CZ PHE B 20 -12.402 0.869 1.756 1.00 1.18 C ATOM 0 H PHE B 20 -8.745 0.529 7.252 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.537 1.068 7.006 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -9.965 2.180 5.586 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.149 0.683 5.179 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -12.830 1.059 5.094 1.00 1.59 H new ATOM 0 HD2 PHE B 20 -9.222 0.973 2.839 1.00 1.26 H new ATOM 0 HE1 PHE B 20 -14.130 0.911 3.014 1.00 1.77 H new ATOM 0 HE2 PHE B 20 -10.515 0.835 0.758 1.00 1.37 H new ATOM 0 HZ PHE B 20 -12.974 0.811 0.841 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.470 -1.873 6.105 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.941 -3.179 5.736 1.00 0.47 C ATOM 1891 C PHE B 21 -11.850 -3.782 6.809 1.00 0.49 C ATOM 1892 O PHE B 21 -12.282 -4.916 6.721 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.766 -4.080 5.324 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.883 -3.474 4.257 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.229 -2.284 3.626 1.00 1.15 C ATOM 1896 CD2 PHE B 21 -7.686 -4.077 3.907 1.00 1.39 C ATOM 1897 CE1 PHE B 21 -8.406 -1.721 2.678 1.00 1.13 C ATOM 1898 CE2 PHE B 21 -6.858 -3.512 2.960 1.00 1.44 C ATOM 1899 CZ PHE B 21 -7.217 -2.332 2.344 1.00 0.53 C ATOM 0 H PHE B 21 -9.463 -1.802 6.247 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.577 -3.088 4.855 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -9.161 -4.298 6.204 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -10.158 -5.031 4.963 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.157 -1.795 3.884 1.00 1.15 H new ATOM 0 HD2 PHE B 21 -7.397 -5.003 4.383 1.00 1.39 H new ATOM 0 HE1 PHE B 21 -8.692 -0.799 2.195 1.00 1.13 H new ATOM 0 HE2 PHE B 21 -5.927 -3.994 2.701 1.00 1.44 H new ATOM 0 HZ PHE B 21 -6.569 -1.888 1.603 1.00 0.53 H new ATOM 1909 N THR B 22 -12.092 -3.054 7.871 1.00 0.48 N ATOM 1910 CA THR B 22 -13.072 -3.509 8.830 1.00 0.54 C ATOM 1911 C THR B 22 -14.459 -3.498 8.168 1.00 0.48 C ATOM 1912 O THR B 22 -15.401 -4.120 8.658 1.00 0.53 O ATOM 1913 CB THR B 22 -13.101 -2.604 10.065 1.00 0.65 C ATOM 1914 OG1 THR B 22 -13.383 -1.254 9.680 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.774 -2.665 10.780 1.00 0.81 C ATOM 0 H THR B 22 -11.639 -2.167 8.092 1.00 0.48 H new ATOM 0 HA THR B 22 -12.804 -4.517 9.148 1.00 0.54 H new ATOM 0 HB THR B 22 -13.885 -2.952 10.737 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.542 -0.774 9.530 1.00 0.66 H new ATOM 0 HG21 THR B 22 -11.803 -2.018 11.657 1.00 0.81 H new ATOM 0 HG22 THR B 22 -11.575 -3.690 11.092 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.983 -2.330 10.109 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.565 -2.772 7.039 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.820 -2.631 6.304 1.00 0.51 C ATOM 1925 C PHE B 23 -16.361 -3.934 5.692 1.00 0.44 C ATOM 1926 O PHE B 23 -17.570 -4.050 5.493 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.708 -1.466 5.302 1.00 0.68 C ATOM 1928 CG PHE B 23 -14.912 -1.660 4.035 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -13.681 -2.274 4.064 1.00 1.48 C ATOM 1930 CD2 PHE B 23 -15.362 -1.125 2.827 1.00 1.46 C ATOM 1931 CE1 PHE B 23 -12.906 -2.378 2.921 1.00 1.88 C ATOM 1932 CE2 PHE B 23 -14.589 -1.213 1.683 1.00 1.93 C ATOM 1933 CZ PHE B 23 -13.358 -1.842 1.729 1.00 1.83 C ATOM 0 H PHE B 23 -13.782 -2.272 6.618 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.593 -2.381 7.031 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.720 -1.183 5.014 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.278 -0.617 5.833 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -13.313 -2.682 4.994 1.00 1.48 H new ATOM 0 HD2 PHE B 23 -16.324 -0.637 2.785 1.00 1.46 H new ATOM 0 HE1 PHE B 23 -11.949 -2.877 2.961 1.00 1.88 H new ATOM 0 HE2 PHE B 23 -14.946 -0.791 0.755 1.00 1.93 H new ATOM 0 HZ PHE B 23 -12.752 -1.914 0.838 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.507 -4.913 5.391 1.00 0.51 N ATOM 1944 CA ALA B 24 -16.002 -6.200 4.879 1.00 0.59 C ATOM 1945 C ALA B 24 -17.059 -6.760 5.811 1.00 0.61 C ATOM 1946 O ALA B 24 -17.879 -7.584 5.407 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.861 -7.192 4.743 1.00 0.71 C ATOM 0 H ALA B 24 -14.494 -4.848 5.488 1.00 0.51 H new ATOM 0 HA ALA B 24 -16.442 -6.034 3.896 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -15.245 -8.139 4.363 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -14.117 -6.798 4.051 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -14.400 -7.353 5.718 1.00 0.71 H new ATOM 1953 N GLY B 25 -17.032 -6.314 7.067 1.00 0.71 N ATOM 1954 CA GLY B 25 -18.020 -6.760 8.039 1.00 0.85 C ATOM 1955 C GLY B 25 -19.414 -6.820 7.441 1.00 0.74 C ATOM 1956 O GLY B 25 -20.250 -7.617 7.864 1.00 0.82 O ATOM 0 H GLY B 25 -16.345 -5.653 7.428 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.742 -7.746 8.413 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -18.020 -6.083 8.893 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.657 -5.963 6.449 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.936 -5.936 5.752 1.00 0.59 C ATOM 1962 C ARG B 26 -21.273 -7.330 5.254 1.00 0.58 C ATOM 1963 O ARG B 26 -22.270 -7.928 5.655 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.871 -4.969 4.568 1.00 0.61 C ATOM 1965 CG ARG B 26 -22.151 -4.915 3.753 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.031 -3.934 2.599 1.00 0.96 C ATOM 1967 NE ARG B 26 -23.280 -3.806 1.855 1.00 1.55 N ATOM 1968 CZ ARG B 26 -23.646 -4.627 0.874 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -22.868 -5.643 0.525 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -24.796 -4.433 0.242 1.00 2.82 N ATOM 0 H ARG B 26 -18.981 -5.278 6.112 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.709 -5.599 6.442 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -20.644 -3.969 4.939 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -20.048 -5.261 3.916 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -22.380 -5.908 3.366 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -22.982 -4.624 4.396 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -21.737 -2.957 2.983 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -21.240 -4.263 1.925 1.00 0.96 H new ATOM 0 HE ARG B 26 -23.909 -3.042 2.102 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -21.984 -5.798 1.009 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -23.154 -6.269 -0.228 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -25.399 -3.655 0.508 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -25.077 -5.062 -0.510 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.423 -7.835 4.369 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.603 -9.174 3.817 1.00 0.57 C ATOM 1986 C GLU B 27 -19.804 -10.197 4.620 1.00 0.80 C ATOM 1987 O GLU B 27 -18.631 -9.980 4.924 1.00 1.26 O ATOM 1988 CB GLU B 27 -20.169 -9.204 2.353 1.00 0.97 C ATOM 1989 CG GLU B 27 -20.885 -8.181 1.488 1.00 0.85 C ATOM 1990 CD GLU B 27 -20.468 -8.255 0.034 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -19.377 -7.744 -0.297 1.00 1.79 O ATOM 1992 OE2 GLU B 27 -21.232 -8.823 -0.775 1.00 1.63 O ATOM 0 H GLU B 27 -19.603 -7.340 4.018 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.660 -9.432 3.879 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -19.095 -9.027 2.297 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -20.350 -10.200 1.949 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -21.961 -8.337 1.562 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -20.681 -7.181 1.870 1.00 0.85 H new ATOM 1999 N GLY B 28 -20.442 -11.313 4.962 1.00 1.32 N ATOM 2000 CA GLY B 28 -19.767 -12.341 5.734 1.00 1.87 C ATOM 2001 C GLY B 28 -19.844 -13.712 5.100 1.00 1.35 C ATOM 2002 O GLY B 28 -20.782 -14.468 5.349 1.00 1.58 O ATOM 0 H GLY B 28 -21.410 -11.523 4.719 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -18.720 -12.064 5.858 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -20.206 -12.384 6.731 1.00 1.87 H new ATOM 2006 N ARG B 29 -18.853 -14.032 4.277 1.00 1.15 N ATOM 2007 CA ARG B 29 -18.801 -15.329 3.619 1.00 1.06 C ATOM 2008 C ARG B 29 -17.356 -15.743 3.360 1.00 1.14 C ATOM 2009 O ARG B 29 -16.427 -15.197 3.955 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.589 -15.308 2.302 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.855 -14.647 1.140 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.694 -13.153 1.357 1.00 2.36 C ATOM 2013 NE ARG B 29 -19.977 -12.494 1.580 1.00 2.88 N ATOM 2014 CZ ARG B 29 -20.809 -12.153 0.601 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -20.490 -12.408 -0.661 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -21.959 -11.557 0.883 1.00 4.30 N ATOM 0 H ARG B 29 -18.076 -13.411 4.050 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.261 -16.060 4.284 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -19.836 -16.333 2.024 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -20.532 -14.786 2.465 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -17.873 -15.106 1.021 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -19.404 -14.824 0.215 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -18.043 -12.979 2.213 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -18.205 -12.711 0.489 1.00 2.36 H new ATOM 0 HE ARG B 29 -20.250 -12.284 2.540 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -19.606 -12.866 -0.881 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -21.129 -12.146 -1.412 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -22.207 -11.359 1.853 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -22.596 -11.296 0.130 1.00 4.30 H new ATOM 2030 N LYS B 30 -17.176 -16.710 2.470 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.845 -17.188 2.121 1.00 1.49 C ATOM 2032 C LYS B 30 -15.401 -16.602 0.784 1.00 1.34 C ATOM 2033 O LYS B 30 -14.914 -17.318 -0.091 1.00 1.66 O ATOM 2034 CB LYS B 30 -15.821 -18.717 2.062 1.00 2.04 C ATOM 2035 CG LYS B 30 -16.933 -19.317 1.218 1.00 2.66 C ATOM 2036 CD LYS B 30 -16.882 -20.836 1.229 1.00 3.51 C ATOM 2037 CE LYS B 30 -15.577 -21.356 0.649 1.00 4.01 C ATOM 2038 NZ LYS B 30 -15.399 -20.947 -0.773 1.00 4.78 N ATOM 0 H LYS B 30 -17.936 -17.179 1.976 1.00 1.05 H new ATOM 0 HA LYS B 30 -15.150 -16.860 2.894 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -14.860 -19.041 1.663 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -15.894 -19.111 3.076 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -17.899 -18.981 1.595 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -16.848 -18.956 0.193 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -16.996 -21.197 2.251 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -17.720 -21.233 0.655 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -14.742 -20.982 1.242 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -15.556 -22.444 0.719 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -14.600 -21.469 -1.187 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -16.266 -21.160 -1.307 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -15.207 -19.926 -0.819 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.581 -15.295 0.633 1.00 0.96 N ATOM 2053 CA GLY B 31 -15.204 -14.625 -0.590 1.00 0.88 C ATOM 2054 C GLY B 31 -14.622 -13.264 -0.334 1.00 0.81 C ATOM 2055 O GLY B 31 -13.517 -13.153 0.172 1.00 0.85 O ATOM 0 H GLY B 31 -15.985 -14.686 1.344 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.477 -15.234 -1.127 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -16.078 -14.529 -1.234 1.00 0.88 H new ATOM 2059 N SER B 32 -15.355 -12.218 -0.678 1.00 0.74 N ATOM 2060 CA SER B 32 -14.843 -10.873 -0.480 1.00 0.71 C ATOM 2061 C SER B 32 -15.889 -9.874 -0.056 1.00 0.70 C ATOM 2062 O SER B 32 -17.080 -10.170 0.056 1.00 0.75 O ATOM 2063 CB SER B 32 -14.146 -10.390 -1.751 1.00 0.69 C ATOM 2064 OG SER B 32 -14.366 -9.014 -2.020 1.00 1.09 O ATOM 0 H SER B 32 -16.288 -12.271 -1.088 1.00 0.74 H new ATOM 0 HA SER B 32 -14.134 -10.937 0.345 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.075 -10.569 -1.661 1.00 0.69 H new ATOM 0 HB3 SER B 32 -14.498 -10.980 -2.597 1.00 0.69 H new ATOM 0 HG SER B 32 -15.148 -8.915 -2.602 1.00 1.09 H new ATOM 2070 N LEU B 33 -15.390 -8.676 0.177 1.00 0.72 N ATOM 2071 CA LEU B 33 -16.196 -7.551 0.538 1.00 0.74 C ATOM 2072 C LEU B 33 -16.508 -6.747 -0.705 1.00 0.57 C ATOM 2073 O LEU B 33 -15.807 -6.846 -1.710 1.00 0.53 O ATOM 2074 CB LEU B 33 -15.479 -6.671 1.563 1.00 1.00 C ATOM 2075 CG LEU B 33 -15.698 -5.145 1.419 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -15.319 -4.414 2.676 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -14.904 -4.594 0.238 1.00 1.69 C ATOM 0 H LEU B 33 -14.394 -8.465 0.117 1.00 0.72 H new ATOM 0 HA LEU B 33 -17.121 -7.909 0.990 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -15.802 -6.972 2.560 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -14.410 -6.872 1.500 1.00 1.00 H new ATOM 0 HG LEU B 33 -16.761 -4.984 1.238 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -15.485 -3.345 2.540 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -15.930 -4.774 3.504 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -14.267 -4.592 2.897 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -15.073 -3.520 0.155 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -13.842 -4.784 0.393 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -15.230 -5.084 -0.680 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.561 -5.959 -0.641 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.935 -5.156 -1.748 1.00 0.47 C ATOM 2091 C ASN B 34 -17.653 -3.700 -1.443 1.00 0.41 C ATOM 2092 O ASN B 34 -17.189 -3.346 -0.359 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.411 -5.357 -2.028 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.694 -6.642 -2.781 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -18.946 -7.614 -2.679 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -20.781 -6.653 -3.544 1.00 2.12 N ATOM 0 H ASN B 34 -18.164 -5.869 0.176 1.00 0.57 H new ATOM 0 HA ASN B 34 -17.358 -5.445 -2.626 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.958 -5.365 -1.085 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.785 -4.512 -2.606 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -21.023 -7.490 -4.074 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -21.374 -5.825 -3.600 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.011 -2.857 -2.368 1.00 0.53 N ATOM 2104 CA ILE B 35 -17.757 -1.436 -2.217 1.00 0.54 C ATOM 2105 C ILE B 35 -18.977 -0.698 -1.708 1.00 0.56 C ATOM 2106 O ILE B 35 -19.131 0.497 -1.943 1.00 0.63 O ATOM 2107 CB ILE B 35 -17.275 -0.785 -3.522 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -17.979 -1.422 -4.719 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -15.762 -0.898 -3.635 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -19.485 -1.371 -4.603 1.00 1.04 C ATOM 0 H ILE B 35 -18.479 -3.118 -3.236 1.00 0.53 H new ATOM 0 HA ILE B 35 -16.959 -1.355 -1.479 1.00 0.54 H new ATOM 0 HB ILE B 35 -17.530 0.275 -3.513 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -17.671 -0.911 -5.631 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -17.661 -2.460 -4.813 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -15.431 -0.433 -4.564 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -15.295 -0.392 -2.790 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -15.474 -1.949 -3.633 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -19.933 -1.837 -5.480 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -19.799 -1.906 -3.707 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -19.810 -0.333 -4.538 1.00 1.04 H new ATOM 2122 N ASN B 36 -19.838 -1.421 -1.007 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.026 -0.834 -0.419 1.00 0.63 C ATOM 2124 C ASN B 36 -20.587 0.030 0.733 1.00 0.59 C ATOM 2125 O ASN B 36 -20.822 1.239 0.744 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.988 -1.918 0.065 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.687 -2.626 -1.078 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -23.765 -2.217 -1.511 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -22.076 -3.696 -1.573 1.00 1.90 N ATOM 0 H ASN B 36 -19.732 -2.420 -0.833 1.00 0.59 H new ATOM 0 HA ASN B 36 -21.556 -0.239 -1.163 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.438 -2.648 0.659 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -22.734 -1.470 0.721 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -22.499 -4.214 -2.343 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -21.183 -3.999 -1.183 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.945 -0.593 1.714 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.416 0.163 2.828 1.00 0.56 C ATOM 2138 C GLU B 37 -18.422 1.169 2.296 1.00 0.50 C ATOM 2139 O GLU B 37 -18.321 2.276 2.808 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.752 -0.742 3.847 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.712 -1.677 4.546 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.299 -1.960 5.978 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -18.368 -1.288 6.468 1.00 1.28 O ATOM 2144 OE2 GLU B 37 -19.908 -2.846 6.613 1.00 1.41 O ATOM 0 H GLU B 37 -19.783 -1.599 1.757 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.236 0.673 3.334 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.982 -1.332 3.349 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.250 -0.127 4.593 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.711 -1.241 4.538 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.769 -2.615 3.994 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.682 0.784 1.251 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.733 1.693 0.630 1.00 0.43 C ATOM 2153 C PHE B 38 -17.404 3.047 0.413 1.00 0.45 C ATOM 2154 O PHE B 38 -16.780 4.088 0.534 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.250 1.123 -0.708 1.00 0.43 C ATOM 2156 CG PHE B 38 -14.999 1.768 -1.235 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -14.971 3.120 -1.530 1.00 1.21 C ATOM 2158 CD2 PHE B 38 -13.849 1.020 -1.430 1.00 1.30 C ATOM 2159 CE1 PHE B 38 -13.820 3.715 -2.012 1.00 1.21 C ATOM 2160 CE2 PHE B 38 -12.695 1.609 -1.909 1.00 1.32 C ATOM 2161 CZ PHE B 38 -12.680 2.959 -2.200 1.00 0.46 C ATOM 0 H PHE B 38 -17.726 -0.142 0.826 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.869 1.816 1.283 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.073 0.054 -0.592 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.043 1.237 -1.447 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -15.859 3.717 -1.382 1.00 1.21 H new ATOM 0 HD2 PHE B 38 -13.855 -0.036 -1.205 1.00 1.30 H new ATOM 0 HE1 PHE B 38 -13.813 4.770 -2.241 1.00 1.21 H new ATOM 0 HE2 PHE B 38 -11.805 1.014 -2.056 1.00 1.32 H new ATOM 0 HZ PHE B 38 -11.779 3.422 -2.574 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.707 3.005 0.136 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.493 4.217 -0.093 1.00 0.53 C ATOM 2173 C LYS B 39 -19.457 5.153 1.103 1.00 0.54 C ATOM 2174 O LYS B 39 -19.880 6.306 1.021 1.00 0.58 O ATOM 2175 CB LYS B 39 -20.904 3.843 -0.474 1.00 0.62 C ATOM 2176 CG LYS B 39 -20.894 2.952 -1.689 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.253 2.877 -2.361 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.307 2.255 -1.463 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.644 2.241 -2.120 1.00 1.82 N ATOM 0 H LYS B 39 -19.243 2.140 0.065 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.045 4.768 -0.920 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.390 3.332 0.357 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.484 4.743 -0.678 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.158 3.323 -2.403 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -20.579 1.950 -1.399 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -22.570 3.880 -2.648 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.170 2.294 -3.278 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -23.015 1.236 -1.209 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.365 2.813 -0.528 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.341 1.810 -1.480 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -24.933 3.216 -2.340 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -24.593 1.688 -2.999 1.00 1.82 H new ATOM 2193 N GLU B 40 -19.023 4.629 2.235 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.845 5.443 3.420 1.00 0.57 C ATOM 2195 C GLU B 40 -17.470 6.133 3.349 1.00 0.55 C ATOM 2196 O GLU B 40 -17.100 6.889 4.246 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.975 4.588 4.702 1.00 0.61 C ATOM 2198 CG GLU B 40 -17.679 3.937 5.188 1.00 1.09 C ATOM 2199 CD GLU B 40 -17.789 3.413 6.607 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -17.560 4.200 7.549 1.00 2.42 O ATOM 2201 OE2 GLU B 40 -18.101 2.216 6.776 1.00 2.62 O ATOM 0 H GLU B 40 -18.788 3.644 2.357 1.00 0.53 H new ATOM 0 HA GLU B 40 -19.626 6.202 3.460 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -19.368 5.218 5.500 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -19.711 3.804 4.523 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -17.416 3.116 4.520 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.869 4.664 5.134 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.719 5.861 2.265 1.00 0.50 N ATOM 2209 CA LEU B 41 -15.390 6.393 2.089 1.00 0.50 C ATOM 2210 C LEU B 41 -15.418 7.808 1.542 1.00 0.55 C ATOM 2211 O LEU B 41 -15.567 8.749 2.300 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.581 5.480 1.154 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.342 4.030 1.603 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.852 3.726 1.586 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -14.927 3.743 2.985 1.00 0.66 C ATOM 0 H LEU B 41 -17.032 5.266 1.498 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.912 6.428 3.068 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -15.088 5.453 0.190 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.609 5.945 0.990 1.00 0.46 H new ATOM 0 HG LEU B 41 -14.859 3.379 0.899 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.687 2.697 1.905 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -12.465 3.859 0.576 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.335 4.404 2.265 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -14.731 2.705 3.255 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -14.465 4.403 3.720 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -16.003 3.916 2.968 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.324 7.944 0.215 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.292 9.250 -0.442 1.00 0.62 C ATOM 2229 C ALA B 42 -16.251 10.219 0.214 1.00 0.68 C ATOM 2230 O ALA B 42 -16.023 11.421 0.231 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.594 9.108 -1.911 1.00 0.65 C ATOM 0 H ALA B 42 -15.268 7.155 -0.429 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.287 9.657 -0.334 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.566 10.089 -2.385 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -14.850 8.460 -2.374 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.585 8.672 -2.038 1.00 0.65 H new ATOM 2237 N THR B 43 -17.323 9.680 0.756 1.00 0.65 N ATOM 2238 CA THR B 43 -18.303 10.485 1.446 1.00 0.73 C ATOM 2239 C THR B 43 -17.684 11.137 2.688 1.00 0.78 C ATOM 2240 O THR B 43 -17.684 12.359 2.830 1.00 0.85 O ATOM 2241 CB THR B 43 -19.519 9.633 1.854 1.00 0.73 C ATOM 2242 OG1 THR B 43 -19.082 8.369 2.382 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.428 9.405 0.658 1.00 0.76 C ATOM 0 H THR B 43 -17.536 8.683 0.730 1.00 0.65 H new ATOM 0 HA THR B 43 -18.637 11.267 0.765 1.00 0.73 H new ATOM 0 HB THR B 43 -20.076 10.168 2.624 1.00 0.73 H new ATOM 0 HG1 THR B 43 -19.298 7.656 1.745 1.00 0.66 H new ATOM 0 HG21 THR B 43 -21.283 8.801 0.961 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.778 10.365 0.278 1.00 0.76 H new ATOM 0 HG23 THR B 43 -19.876 8.885 -0.125 1.00 0.76 H new ATOM 2251 N GLN B 44 -17.176 10.300 3.589 1.00 0.76 N ATOM 2252 CA GLN B 44 -16.526 10.760 4.822 1.00 0.84 C ATOM 2253 C GLN B 44 -15.073 11.148 4.570 1.00 0.83 C ATOM 2254 O GLN B 44 -14.475 11.897 5.343 1.00 0.92 O ATOM 2255 CB GLN B 44 -16.608 9.655 5.870 1.00 0.87 C ATOM 2256 CG GLN B 44 -18.025 9.153 6.098 1.00 1.54 C ATOM 2257 CD GLN B 44 -18.089 8.014 7.096 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -17.263 7.920 8.003 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -19.077 7.141 6.935 1.00 2.74 N ATOM 0 H GLN B 44 -17.201 9.285 3.489 1.00 0.76 H new ATOM 0 HA GLN B 44 -17.044 11.649 5.183 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -15.979 8.821 5.560 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -16.204 10.025 6.812 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -18.645 9.976 6.452 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -18.446 8.823 5.148 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -19.740 7.257 6.169 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -19.173 6.355 7.578 1.00 2.74 H new ATOM 2268 N GLN B 45 -14.509 10.605 3.504 1.00 0.79 N ATOM 2269 CA GLN B 45 -13.154 10.900 3.095 1.00 0.82 C ATOM 2270 C GLN B 45 -13.150 12.211 2.332 1.00 0.78 C ATOM 2271 O GLN B 45 -12.183 12.966 2.387 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.638 9.776 2.214 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.507 8.454 2.949 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.360 7.600 2.451 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -10.855 6.764 3.198 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -10.942 7.803 1.192 1.00 1.45 N ATOM 0 H GLN B 45 -14.987 9.941 2.895 1.00 0.79 H new ATOM 0 HA GLN B 45 -12.506 10.987 3.967 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -13.312 9.648 1.367 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.666 10.057 1.809 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.369 8.650 4.012 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -13.437 7.896 2.846 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -11.395 8.510 0.612 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.172 7.251 0.815 1.00 1.45 H new ATOM 2285 N LEU B 46 -14.281 12.492 1.650 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.464 13.716 0.855 1.00 0.78 C ATOM 2287 C LEU B 46 -13.760 14.863 1.544 1.00 0.74 C ATOM 2288 O LEU B 46 -12.969 15.575 0.931 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.962 14.044 0.708 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.533 14.018 -0.716 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.889 14.706 -0.751 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.577 14.679 -1.697 1.00 1.30 C ATOM 0 H LEU B 46 -15.091 11.873 1.638 1.00 0.78 H new ATOM 0 HA LEU B 46 -14.042 13.562 -0.138 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.527 13.337 1.315 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -16.137 15.035 1.127 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.659 12.977 -1.015 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -18.284 14.681 -1.767 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.577 14.189 -0.082 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.780 15.742 -0.430 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -16.005 14.648 -2.699 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.415 15.716 -1.404 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.625 14.147 -1.692 1.00 1.30 H new ATOM 2304 N PRO B 47 -14.079 15.101 2.818 1.00 0.78 N ATOM 2305 CA PRO B 47 -13.378 16.105 3.563 1.00 0.80 C ATOM 2306 C PRO B 47 -12.165 15.507 4.254 1.00 0.77 C ATOM 2307 O PRO B 47 -12.250 15.026 5.383 1.00 0.82 O ATOM 2308 CB PRO B 47 -14.424 16.493 4.602 1.00 0.91 C ATOM 2309 CG PRO B 47 -15.168 15.222 4.873 1.00 0.95 C ATOM 2310 CD PRO B 47 -15.077 14.396 3.614 1.00 0.90 C ATOM 0 HA PRO B 47 -13.008 16.931 2.956 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.959 16.882 5.508 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -15.089 17.270 4.226 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.732 14.690 5.718 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -16.208 15.428 5.128 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.771 13.372 3.827 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -16.036 14.341 3.099 1.00 0.90 H new ATOM 2318 N HIS B 48 -11.049 15.534 3.567 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.785 15.100 4.123 1.00 0.75 C ATOM 2320 C HIS B 48 -9.002 16.330 4.542 1.00 0.83 C ATOM 2321 O HIS B 48 -9.588 17.344 4.919 1.00 0.91 O ATOM 2322 CB HIS B 48 -9.040 14.245 3.111 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.297 13.096 3.725 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -8.901 11.907 4.072 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -6.989 12.961 4.057 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -8.002 11.091 4.593 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -6.833 11.707 4.594 1.00 1.59 N ATOM 0 H HIS B 48 -10.989 15.859 2.602 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.936 14.476 5.004 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.751 13.858 2.381 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -8.335 14.873 2.567 1.00 0.73 H new ATOM 0 HD2 HIS B 48 -6.214 13.702 3.924 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -8.190 10.091 4.956 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -5.957 11.314 4.938 1.00 1.59 H new ATOM 2336 N LEU B 49 -7.681 16.246 4.476 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.860 17.408 4.735 1.00 1.00 C ATOM 2338 C LEU B 49 -6.829 18.226 3.440 1.00 0.98 C ATOM 2339 O LEU B 49 -7.681 19.086 3.222 1.00 1.02 O ATOM 2340 CB LEU B 49 -5.450 17.011 5.185 1.00 1.10 C ATOM 2341 CG LEU B 49 -5.361 16.413 6.589 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -3.914 16.116 6.953 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -5.986 17.355 7.607 1.00 2.44 C ATOM 0 H LEU B 49 -7.165 15.396 4.248 1.00 0.89 H new ATOM 0 HA LEU B 49 -7.276 17.998 5.551 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -5.048 16.289 4.474 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.810 17.892 5.141 1.00 1.10 H new ATOM 0 HG LEU B 49 -5.916 15.475 6.601 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -3.871 15.691 7.956 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -3.498 15.405 6.239 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -3.335 17.039 6.925 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -5.915 16.915 8.602 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -5.457 18.308 7.593 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -7.034 17.518 7.357 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.842 17.951 2.583 1.00 0.98 N ATOM 2356 CA LEU B 50 -5.738 18.608 1.279 1.00 1.01 C ATOM 2357 C LEU B 50 -6.543 17.845 0.214 1.00 0.92 C ATOM 2358 O LEU B 50 -6.242 17.935 -0.976 1.00 1.01 O ATOM 2359 CB LEU B 50 -4.276 18.710 0.841 1.00 1.11 C ATOM 2360 CG LEU B 50 -3.639 17.394 0.398 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -2.827 17.596 -0.872 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -2.764 16.828 1.505 1.00 2.24 C ATOM 0 H LEU B 50 -5.101 17.275 2.771 1.00 0.98 H new ATOM 0 HA LEU B 50 -6.151 19.612 1.380 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -4.208 19.423 0.020 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.693 19.118 1.667 1.00 1.11 H new ATOM 0 HG LEU B 50 -4.435 16.679 0.188 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -2.381 16.648 -1.173 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -3.479 17.959 -1.667 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.039 18.326 -0.688 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -2.318 15.891 1.173 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -1.975 17.540 1.745 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -3.371 16.647 2.392 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.562 17.095 0.645 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.380 16.283 -0.255 1.00 0.80 C ATOM 2376 C LYS B 51 -8.671 16.975 -1.569 1.00 0.89 C ATOM 2377 O LYS B 51 -8.526 18.188 -1.715 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.710 15.935 0.409 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.359 14.647 -0.100 1.00 1.24 C ATOM 2380 CD LYS B 51 -9.456 13.445 0.019 1.00 2.12 C ATOM 2381 CE LYS B 51 -10.267 12.199 0.325 1.00 2.68 C ATOM 2382 NZ LYS B 51 -11.520 12.157 -0.478 1.00 3.58 N ATOM 0 H LYS B 51 -7.841 17.035 1.624 1.00 0.85 H new ATOM 0 HA LYS B 51 -7.802 15.383 -0.464 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.552 15.846 1.484 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -10.404 16.761 0.256 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -11.276 14.463 0.460 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.644 14.778 -1.144 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -8.901 13.306 -0.909 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -8.722 13.611 0.807 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -9.668 11.313 0.115 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -10.512 12.174 1.387 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -11.775 11.168 -0.673 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -12.288 12.614 0.053 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -11.374 12.660 -1.377 1.00 3.58 H new ATOM 2396 N ASP B 52 -9.101 16.165 -2.517 1.00 0.92 N ATOM 2397 CA ASP B 52 -9.458 16.637 -3.838 1.00 1.17 C ATOM 2398 C ASP B 52 -10.977 16.648 -4.005 1.00 1.24 C ATOM 2399 O ASP B 52 -11.482 16.843 -5.110 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.820 15.743 -4.905 1.00 1.29 C ATOM 2401 CG ASP B 52 -9.192 16.165 -6.313 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -8.495 17.037 -6.874 1.00 2.35 O ATOM 2403 OD2 ASP B 52 -10.179 15.625 -6.854 1.00 2.61 O ATOM 0 H ASP B 52 -9.212 15.159 -2.391 1.00 0.92 H new ATOM 0 HA ASP B 52 -9.085 17.654 -3.958 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -7.736 15.769 -4.796 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -9.132 14.711 -4.744 1.00 1.29 H new ATOM 2408 N VAL B 53 -11.710 16.438 -2.903 1.00 1.14 N ATOM 2409 CA VAL B 53 -13.157 16.423 -2.954 1.00 1.27 C ATOM 2410 C VAL B 53 -13.646 15.494 -4.060 1.00 1.24 C ATOM 2411 O VAL B 53 -14.109 15.939 -5.110 1.00 1.46 O ATOM 2412 CB VAL B 53 -13.713 17.841 -3.164 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -15.227 17.824 -3.331 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -13.315 18.742 -2.005 1.00 1.92 C ATOM 0 H VAL B 53 -11.316 16.278 -1.976 1.00 1.14 H new ATOM 0 HA VAL B 53 -13.524 16.049 -1.998 1.00 1.27 H new ATOM 0 HB VAL B 53 -13.281 18.238 -4.083 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -15.588 18.842 -3.478 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -15.491 17.217 -4.197 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -15.687 17.401 -2.438 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -13.716 19.743 -2.168 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -13.715 18.337 -1.075 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -12.228 18.793 -1.940 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.507 14.192 -3.818 1.00 1.06 N ATOM 2425 CA GLY B 54 -13.939 13.187 -4.766 1.00 1.09 C ATOM 2426 C GLY B 54 -15.245 13.544 -5.437 1.00 1.13 C ATOM 2427 O GLY B 54 -16.285 13.652 -4.789 1.00 1.23 O ATOM 0 H GLY B 54 -13.095 13.814 -2.965 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.169 13.055 -5.526 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.048 12.232 -4.253 1.00 1.09 H new ATOM 2431 N SER B 55 -15.168 13.745 -6.738 1.00 1.16 N ATOM 2432 CA SER B 55 -16.319 14.108 -7.540 1.00 1.24 C ATOM 2433 C SER B 55 -17.480 13.147 -7.312 1.00 1.10 C ATOM 2434 O SER B 55 -17.432 12.306 -6.422 1.00 1.09 O ATOM 2435 CB SER B 55 -15.897 14.120 -8.996 1.00 1.40 C ATOM 2436 OG SER B 55 -16.750 14.940 -9.777 1.00 1.62 O ATOM 0 H SER B 55 -14.302 13.661 -7.270 1.00 1.16 H new ATOM 0 HA SER B 55 -16.671 15.097 -7.248 1.00 1.24 H new ATOM 0 HB2 SER B 55 -14.871 14.480 -9.076 1.00 1.40 H new ATOM 0 HB3 SER B 55 -15.909 13.103 -9.388 1.00 1.40 H new ATOM 0 HG SER B 55 -16.451 14.928 -10.710 1.00 1.62 H new ATOM 2442 N LEU B 56 -18.527 13.274 -8.114 1.00 1.15 N ATOM 2443 CA LEU B 56 -19.693 12.413 -7.962 1.00 1.10 C ATOM 2444 C LEU B 56 -19.479 11.050 -8.610 1.00 0.98 C ATOM 2445 O LEU B 56 -19.315 10.047 -7.918 1.00 0.97 O ATOM 2446 CB LEU B 56 -20.938 13.086 -8.543 1.00 1.28 C ATOM 2447 CG LEU B 56 -21.376 14.369 -7.833 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -21.666 14.096 -6.365 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -20.315 15.451 -7.974 1.00 2.83 C ATOM 0 H LEU B 56 -18.595 13.957 -8.869 1.00 1.15 H new ATOM 0 HA LEU B 56 -19.842 12.253 -6.894 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -20.751 13.316 -9.592 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -21.763 12.374 -8.515 1.00 1.28 H new ATOM 0 HG LEU B 56 -22.292 14.724 -8.305 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -21.976 15.020 -5.877 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -22.463 13.357 -6.283 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -20.767 13.714 -5.881 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -20.646 16.354 -7.462 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -19.381 15.105 -7.531 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -20.156 15.670 -9.030 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.484 11.012 -9.937 1.00 1.00 N ATOM 2462 CA ASP B 57 -19.295 9.757 -10.652 1.00 1.01 C ATOM 2463 C ASP B 57 -17.999 9.104 -10.264 1.00 0.95 C ATOM 2464 O ASP B 57 -17.885 7.881 -10.228 1.00 0.97 O ATOM 2465 CB ASP B 57 -19.289 9.961 -12.156 1.00 1.15 C ATOM 2466 CG ASP B 57 -20.668 9.834 -12.772 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -21.100 8.692 -13.030 1.00 2.48 O ATOM 2468 OD2 ASP B 57 -21.315 10.879 -12.999 1.00 2.19 O ATOM 0 H ASP B 57 -19.616 11.828 -10.535 1.00 1.00 H new ATOM 0 HA ASP B 57 -20.134 9.118 -10.377 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -18.884 10.947 -12.383 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -18.623 9.230 -12.614 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.029 9.935 -9.968 1.00 0.94 N ATOM 2474 CA GLU B 58 -15.708 9.468 -9.582 1.00 0.95 C ATOM 2475 C GLU B 58 -15.855 8.433 -8.490 1.00 0.87 C ATOM 2476 O GLU B 58 -15.109 7.459 -8.427 1.00 0.90 O ATOM 2477 CB GLU B 58 -14.845 10.630 -9.091 1.00 0.98 C ATOM 2478 CG GLU B 58 -13.369 10.278 -8.994 1.00 1.44 C ATOM 2479 CD GLU B 58 -12.541 11.377 -8.356 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -12.374 12.438 -8.992 1.00 2.29 O ATOM 2481 OE2 GLU B 58 -12.054 11.172 -7.225 1.00 2.42 O ATOM 0 H GLU B 58 -17.126 10.950 -9.986 1.00 0.94 H new ATOM 0 HA GLU B 58 -15.216 9.026 -10.448 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -14.967 11.476 -9.767 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.201 10.951 -8.112 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -13.256 9.362 -8.414 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -12.983 10.072 -9.993 1.00 1.44 H new ATOM 2488 N LYS B 59 -16.851 8.660 -7.646 1.00 0.81 N ATOM 2489 CA LYS B 59 -17.150 7.760 -6.555 1.00 0.76 C ATOM 2490 C LYS B 59 -17.827 6.497 -7.077 1.00 0.80 C ATOM 2491 O LYS B 59 -17.659 5.417 -6.518 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.065 8.437 -5.524 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.349 9.299 -4.479 1.00 0.75 C ATOM 2494 CD LYS B 59 -16.366 10.282 -5.104 1.00 1.14 C ATOM 2495 CE LYS B 59 -14.923 9.898 -4.827 1.00 1.95 C ATOM 2496 NZ LYS B 59 -14.033 10.233 -5.970 1.00 2.67 N ATOM 0 H LYS B 59 -17.468 9.470 -7.702 1.00 0.81 H new ATOM 0 HA LYS B 59 -16.209 7.494 -6.074 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -18.784 9.061 -6.055 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -18.634 7.665 -5.006 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -18.089 9.850 -3.899 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -16.816 8.652 -3.782 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -16.530 10.323 -6.181 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -16.556 11.282 -4.714 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -14.575 10.414 -3.932 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -14.864 8.829 -4.622 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -13.046 10.264 -5.644 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -14.131 9.509 -6.710 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -14.299 11.161 -6.357 1.00 2.67 H new ATOM 2510 N MET B 60 -18.593 6.648 -8.155 1.00 0.86 N ATOM 2511 CA MET B 60 -19.327 5.529 -8.748 1.00 0.92 C ATOM 2512 C MET B 60 -18.459 4.656 -9.659 1.00 0.96 C ATOM 2513 O MET B 60 -18.786 3.495 -9.907 1.00 1.01 O ATOM 2514 CB MET B 60 -20.526 6.056 -9.538 1.00 1.00 C ATOM 2515 CG MET B 60 -21.552 6.773 -8.675 1.00 1.01 C ATOM 2516 SD MET B 60 -22.994 7.312 -9.613 1.00 1.74 S ATOM 2517 CE MET B 60 -23.595 5.744 -10.237 1.00 2.31 C ATOM 0 H MET B 60 -18.723 7.537 -8.638 1.00 0.86 H new ATOM 0 HA MET B 60 -19.659 4.899 -7.923 1.00 0.92 H new ATOM 0 HB2 MET B 60 -20.171 6.739 -10.310 1.00 1.00 H new ATOM 0 HB3 MET B 60 -21.010 5.223 -10.048 1.00 1.00 H new ATOM 0 HG2 MET B 60 -21.873 6.109 -7.872 1.00 1.01 H new ATOM 0 HG3 MET B 60 -21.085 7.639 -8.205 1.00 1.01 H new ATOM 0 HE1 MET B 60 -24.655 5.829 -10.475 1.00 2.31 H new ATOM 0 HE2 MET B 60 -23.042 5.474 -11.137 1.00 2.31 H new ATOM 0 HE3 MET B 60 -23.454 4.973 -9.480 1.00 2.31 H new ATOM 2527 N LYS B 61 -17.362 5.209 -10.154 1.00 0.97 N ATOM 2528 CA LYS B 61 -16.479 4.470 -11.063 1.00 1.02 C ATOM 2529 C LYS B 61 -15.549 3.551 -10.298 1.00 0.96 C ATOM 2530 O LYS B 61 -15.710 2.332 -10.314 1.00 0.92 O ATOM 2531 CB LYS B 61 -15.646 5.414 -11.943 1.00 1.09 C ATOM 2532 CG LYS B 61 -16.116 6.861 -11.947 1.00 1.55 C ATOM 2533 CD LYS B 61 -15.363 7.692 -12.975 1.00 2.08 C ATOM 2534 CE LYS B 61 -15.671 7.237 -14.393 1.00 2.60 C ATOM 2535 NZ LYS B 61 -17.120 7.362 -14.714 1.00 3.16 N ATOM 0 H LYS B 61 -17.058 6.160 -9.947 1.00 0.97 H new ATOM 0 HA LYS B 61 -17.125 3.873 -11.706 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -14.610 5.384 -11.605 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -15.658 5.040 -12.967 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -17.184 6.897 -12.161 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -15.975 7.293 -10.956 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -15.631 8.742 -12.862 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -14.291 7.615 -12.792 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -15.090 7.831 -15.099 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -15.360 6.200 -14.517 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -17.253 7.307 -15.744 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -17.645 6.590 -14.255 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -17.475 8.276 -14.367 1.00 3.16 H new ATOM 2549 N THR B 62 -14.574 4.145 -9.625 1.00 0.99 N ATOM 2550 CA THR B 62 -13.607 3.374 -8.858 1.00 0.96 C ATOM 2551 C THR B 62 -14.318 2.369 -7.960 1.00 0.87 C ATOM 2552 O THR B 62 -13.758 1.335 -7.596 1.00 0.84 O ATOM 2553 CB THR B 62 -12.711 4.281 -8.001 1.00 1.03 C ATOM 2554 OG1 THR B 62 -12.142 5.313 -8.811 1.00 1.13 O ATOM 2555 CG2 THR B 62 -11.603 3.477 -7.339 1.00 1.05 C ATOM 0 H THR B 62 -14.432 5.155 -9.595 1.00 0.99 H new ATOM 0 HA THR B 62 -12.976 2.844 -9.572 1.00 0.96 H new ATOM 0 HB THR B 62 -13.326 4.731 -7.221 1.00 1.03 H new ATOM 0 HG1 THR B 62 -11.574 5.888 -8.257 1.00 1.13 H new ATOM 0 HG21 THR B 62 -10.982 4.140 -6.738 1.00 1.05 H new ATOM 0 HG22 THR B 62 -12.042 2.711 -6.699 1.00 1.05 H new ATOM 0 HG23 THR B 62 -10.990 3.002 -8.105 1.00 1.05 H new ATOM 2563 N LEU B 63 -15.558 2.690 -7.604 1.00 0.86 N ATOM 2564 CA LEU B 63 -16.372 1.813 -6.777 1.00 0.83 C ATOM 2565 C LEU B 63 -16.373 0.403 -7.348 1.00 0.80 C ATOM 2566 O LEU B 63 -15.854 -0.528 -6.732 1.00 0.89 O ATOM 2567 CB LEU B 63 -17.795 2.360 -6.689 1.00 0.95 C ATOM 2568 CG LEU B 63 -18.796 1.465 -5.968 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -19.891 2.298 -5.319 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -19.405 0.450 -6.927 1.00 1.41 C ATOM 0 H LEU B 63 -16.021 3.557 -7.878 1.00 0.86 H new ATOM 0 HA LEU B 63 -15.950 1.774 -5.773 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -17.765 3.324 -6.182 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -18.159 2.543 -7.700 1.00 0.95 H new ATOM 0 HG LEU B 63 -18.261 0.924 -5.187 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -20.595 1.640 -4.810 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -19.447 2.983 -4.597 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -20.416 2.868 -6.085 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -20.116 -0.177 -6.389 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -19.920 0.974 -7.732 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -18.615 -0.174 -7.346 1.00 1.41 H new ATOM 2582 N ASP B 64 -16.945 0.248 -8.534 1.00 0.78 N ATOM 2583 CA ASP B 64 -16.983 -1.053 -9.179 1.00 0.81 C ATOM 2584 C ASP B 64 -15.568 -1.530 -9.468 1.00 0.81 C ATOM 2585 O ASP B 64 -15.300 -2.728 -9.475 1.00 0.88 O ATOM 2586 CB ASP B 64 -17.796 -0.995 -10.469 1.00 0.91 C ATOM 2587 CG ASP B 64 -19.238 -0.596 -10.221 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -20.066 -1.494 -9.962 1.00 1.96 O ATOM 2589 OD2 ASP B 64 -19.537 0.614 -10.284 1.00 2.05 O ATOM 0 H ASP B 64 -17.385 1.001 -9.064 1.00 0.78 H new ATOM 0 HA ASP B 64 -17.466 -1.760 -8.505 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -17.337 -0.282 -11.154 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -17.769 -1.969 -10.957 1.00 0.91 H new ATOM 2594 N VAL B 65 -14.662 -0.584 -9.714 1.00 0.81 N ATOM 2595 CA VAL B 65 -13.270 -0.927 -9.972 1.00 0.87 C ATOM 2596 C VAL B 65 -12.735 -1.735 -8.799 1.00 0.77 C ATOM 2597 O VAL B 65 -12.570 -2.950 -8.897 1.00 0.83 O ATOM 2598 CB VAL B 65 -12.397 0.327 -10.186 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -10.937 -0.059 -10.377 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -12.901 1.128 -11.376 1.00 1.07 C ATOM 0 H VAL B 65 -14.867 0.415 -9.739 1.00 0.81 H new ATOM 0 HA VAL B 65 -13.227 -1.513 -10.890 1.00 0.87 H new ATOM 0 HB VAL B 65 -12.469 0.951 -9.295 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -10.339 0.840 -10.526 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -10.582 -0.588 -9.493 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -10.843 -0.706 -11.249 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -12.274 2.009 -11.513 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -12.861 0.511 -12.273 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -13.930 1.439 -11.196 1.00 1.07 H new ATOM 2610 N ASN B 66 -12.463 -1.056 -7.687 1.00 0.72 N ATOM 2611 CA ASN B 66 -11.998 -1.731 -6.481 1.00 0.67 C ATOM 2612 C ASN B 66 -13.178 -2.283 -5.692 1.00 0.56 C ATOM 2613 O ASN B 66 -13.238 -2.123 -4.472 1.00 0.57 O ATOM 2614 CB ASN B 66 -11.214 -0.783 -5.584 1.00 0.81 C ATOM 2615 CG ASN B 66 -10.328 0.166 -6.370 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -9.848 -0.169 -7.454 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.103 1.357 -5.826 1.00 1.10 N ATOM 0 H ASN B 66 -12.556 -0.044 -7.597 1.00 0.72 H new ATOM 0 HA ASN B 66 -11.346 -2.546 -6.797 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -11.910 -0.205 -4.976 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -10.598 -1.364 -4.897 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -9.513 2.035 -6.308 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -10.520 1.594 -4.926 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.117 -2.933 -6.370 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.283 -3.475 -5.697 1.00 0.68 C ATOM 2626 C GLN B 67 -14.853 -4.320 -4.508 1.00 0.61 C ATOM 2627 O GLN B 67 -15.328 -4.136 -3.387 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.140 -4.287 -6.679 1.00 0.90 C ATOM 2629 CG GLN B 67 -15.584 -5.657 -7.040 1.00 0.74 C ATOM 2630 CD GLN B 67 -14.309 -5.573 -7.878 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -14.216 -4.765 -8.798 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -13.303 -6.383 -7.545 1.00 1.44 N ATOM 0 H GLN B 67 -14.091 -3.095 -7.377 1.00 0.63 H new ATOM 0 HA GLN B 67 -15.894 -2.652 -5.325 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.133 -4.417 -6.249 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -16.262 -3.709 -7.595 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -15.377 -6.213 -6.126 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -16.339 -6.218 -7.590 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -13.413 -7.043 -6.775 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -12.424 -6.342 -8.060 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.953 -5.247 -4.776 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.413 -6.125 -3.774 1.00 0.62 C ATOM 2643 C ASP B 68 -12.195 -5.498 -3.121 1.00 0.59 C ATOM 2644 O ASP B 68 -11.223 -6.192 -2.826 1.00 0.65 O ATOM 2645 CB ASP B 68 -13.075 -7.485 -4.376 1.00 0.73 C ATOM 2646 CG ASP B 68 -14.308 -8.212 -4.877 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -15.305 -8.276 -4.128 1.00 1.58 O ATOM 2648 OD2 ASP B 68 -14.276 -8.718 -6.018 1.00 1.50 O ATOM 0 H ASP B 68 -13.576 -5.408 -5.710 1.00 0.59 H new ATOM 0 HA ASP B 68 -14.168 -6.279 -3.004 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.374 -7.352 -5.200 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.573 -8.098 -3.627 1.00 0.73 H new ATOM 2653 N SER B 69 -12.241 -4.184 -2.876 1.00 0.56 N ATOM 2654 CA SER B 69 -11.122 -3.504 -2.231 1.00 0.58 C ATOM 2655 C SER B 69 -10.780 -4.209 -0.917 1.00 0.62 C ATOM 2656 O SER B 69 -9.790 -3.888 -0.262 1.00 0.74 O ATOM 2657 CB SER B 69 -11.441 -2.034 -1.970 1.00 0.66 C ATOM 2658 OG SER B 69 -12.711 -1.890 -1.356 1.00 1.74 O ATOM 0 H SER B 69 -13.030 -3.581 -3.112 1.00 0.56 H new ATOM 0 HA SER B 69 -10.264 -3.545 -2.902 1.00 0.58 H new ATOM 0 HB2 SER B 69 -10.673 -1.600 -1.330 1.00 0.66 H new ATOM 0 HB3 SER B 69 -11.423 -1.482 -2.910 1.00 0.66 H new ATOM 0 HG SER B 69 -13.396 -1.770 -2.046 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.693 -5.068 -0.480 1.00 0.63 N ATOM 2665 CA GLU B 70 -11.477 -5.923 0.656 1.00 0.76 C ATOM 2666 C GLU B 70 -11.956 -7.302 0.303 1.00 0.77 C ATOM 2667 O GLU B 70 -12.905 -7.472 -0.463 1.00 0.81 O ATOM 2668 CB GLU B 70 -12.195 -5.499 1.903 1.00 0.84 C ATOM 2669 CG GLU B 70 -12.034 -6.541 2.987 1.00 1.33 C ATOM 2670 CD GLU B 70 -12.276 -6.003 4.349 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -12.771 -4.860 4.447 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -11.983 -6.730 5.321 1.00 2.73 O ATOM 0 H GLU B 70 -12.608 -5.183 -0.915 1.00 0.63 H new ATOM 0 HA GLU B 70 -10.410 -5.877 0.874 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -11.802 -4.543 2.248 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -13.253 -5.350 1.688 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -12.725 -7.363 2.799 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -11.027 -6.954 2.939 1.00 1.33 H new ATOM 2679 N LEU B 71 -11.300 -8.278 0.863 1.00 0.79 N ATOM 2680 CA LEU B 71 -11.666 -9.633 0.594 1.00 0.83 C ATOM 2681 C LEU B 71 -11.433 -10.578 1.748 1.00 0.81 C ATOM 2682 O LEU B 71 -10.735 -10.278 2.716 1.00 0.86 O ATOM 2683 CB LEU B 71 -10.946 -10.134 -0.623 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.448 -10.322 -0.474 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.824 -9.116 0.190 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -9.130 -11.578 0.309 1.00 1.25 C ATOM 0 H LEU B 71 -10.515 -8.159 1.504 1.00 0.79 H new ATOM 0 HA LEU B 71 -12.742 -9.619 0.423 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -11.385 -11.088 -0.915 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -11.126 -9.437 -1.441 1.00 0.99 H new ATOM 0 HG LEU B 71 -9.024 -10.429 -1.472 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -7.749 -9.270 0.288 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -9.010 -8.230 -0.417 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -9.262 -8.977 1.178 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -8.049 -11.686 0.400 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -9.572 -11.509 1.303 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -9.539 -12.444 -0.211 1.00 1.25 H new ATOM 2698 N ARG B 72 -12.049 -11.729 1.603 1.00 0.77 N ATOM 2699 CA ARG B 72 -11.924 -12.825 2.531 1.00 0.80 C ATOM 2700 C ARG B 72 -11.087 -13.909 1.854 1.00 0.69 C ATOM 2701 O ARG B 72 -10.335 -14.635 2.504 1.00 0.76 O ATOM 2702 CB ARG B 72 -13.303 -13.396 2.873 1.00 0.91 C ATOM 2703 CG ARG B 72 -14.437 -12.390 2.794 1.00 1.00 C ATOM 2704 CD ARG B 72 -14.171 -11.168 3.648 1.00 1.06 C ATOM 2705 NE ARG B 72 -13.939 -11.516 5.046 1.00 1.30 N ATOM 2706 CZ ARG B 72 -13.423 -10.677 5.938 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -13.077 -9.449 5.575 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -13.250 -11.066 7.194 1.00 1.42 N ATOM 0 H ARG B 72 -12.666 -11.932 0.816 1.00 0.77 H new ATOM 0 HA ARG B 72 -11.455 -12.481 3.453 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -13.519 -14.222 2.195 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -13.271 -13.811 3.881 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -14.579 -12.084 1.757 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -15.365 -12.863 3.117 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -13.303 -10.636 3.258 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -15.019 -10.487 3.580 1.00 1.06 H new ATOM 0 HE ARG B 72 -14.187 -12.456 5.356 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -13.207 -9.147 4.609 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -12.681 -8.807 6.261 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -13.513 -12.010 7.476 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -12.854 -10.421 7.878 1.00 1.42 H new ATOM 2722 N PHE B 73 -11.219 -13.978 0.520 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.524 -14.953 -0.288 1.00 0.57 C ATOM 2724 C PHE B 73 -9.234 -14.413 -0.962 1.00 0.52 C ATOM 2725 O PHE B 73 -8.293 -14.073 -0.264 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.504 -15.606 -1.291 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.269 -14.700 -2.244 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.091 -13.319 -2.287 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -13.172 -15.270 -3.130 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -12.795 -12.547 -3.185 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -13.880 -14.495 -4.026 1.00 1.44 C ATOM 2732 CZ PHE B 73 -13.690 -13.132 -4.054 1.00 0.87 C ATOM 0 H PHE B 73 -11.817 -13.350 -0.017 1.00 0.60 H new ATOM 0 HA PHE B 73 -10.158 -15.727 0.386 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -10.939 -16.319 -1.891 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.234 -16.178 -0.718 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -11.394 -12.849 -1.609 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -13.324 -16.339 -3.118 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -12.645 -11.478 -3.208 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -14.582 -14.957 -4.704 1.00 1.44 H new ATOM 0 HZ PHE B 73 -14.241 -12.523 -4.755 1.00 0.87 H new ATOM 2742 N SER B 74 -9.198 -14.266 -2.293 1.00 0.48 N ATOM 2743 CA SER B 74 -7.958 -13.888 -2.984 1.00 0.48 C ATOM 2744 C SER B 74 -8.053 -12.569 -3.712 1.00 0.42 C ATOM 2745 O SER B 74 -7.251 -12.282 -4.598 1.00 0.46 O ATOM 2746 CB SER B 74 -7.543 -14.973 -3.978 1.00 0.63 C ATOM 2747 OG SER B 74 -6.614 -15.872 -3.397 1.00 1.03 O ATOM 0 H SER B 74 -10.002 -14.401 -2.906 1.00 0.48 H new ATOM 0 HA SER B 74 -7.207 -13.778 -2.202 1.00 0.48 H new ATOM 0 HB2 SER B 74 -8.424 -15.521 -4.311 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.102 -14.511 -4.862 1.00 0.63 H new ATOM 0 HG SER B 74 -5.820 -15.378 -3.105 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.005 -11.765 -3.333 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.188 -10.466 -3.953 1.00 0.42 C ATOM 2755 C GLU B 75 -8.198 -9.432 -3.397 1.00 0.42 C ATOM 2756 O GLU B 75 -8.323 -8.239 -3.674 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.612 -10.019 -3.678 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.558 -10.138 -4.851 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.148 -9.270 -6.010 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -10.054 -8.689 -5.933 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -11.919 -9.168 -6.987 1.00 1.41 O ATOM 0 H GLU B 75 -9.674 -11.980 -2.594 1.00 0.43 H new ATOM 0 HA GLU B 75 -9.003 -10.546 -5.024 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -11.008 -10.608 -2.850 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.593 -8.980 -3.350 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.600 -11.177 -5.176 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.563 -9.863 -4.533 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.214 -9.895 -2.615 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.259 -8.995 -1.995 1.00 0.38 C ATOM 2770 C TYR B 76 -5.571 -8.096 -3.001 1.00 0.39 C ATOM 2771 O TYR B 76 -5.037 -7.047 -2.646 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.235 -9.741 -1.129 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.630 -9.752 0.317 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -5.550 -8.612 1.105 1.00 1.29 C ATOM 2775 CD2 TYR B 76 -6.167 -10.894 0.871 1.00 1.22 C ATOM 2776 CE1 TYR B 76 -5.992 -8.618 2.405 1.00 1.29 C ATOM 2777 CE2 TYR B 76 -6.606 -10.918 2.172 1.00 1.26 C ATOM 2778 CZ TYR B 76 -6.521 -9.775 2.940 1.00 0.48 C ATOM 2779 OH TYR B 76 -6.966 -9.786 4.242 1.00 0.54 O ATOM 0 H TYR B 76 -7.067 -10.882 -2.403 1.00 0.38 H new ATOM 0 HA TYR B 76 -6.840 -8.352 -1.334 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.135 -10.766 -1.486 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.258 -9.270 -1.235 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -5.134 -7.706 0.689 1.00 1.29 H new ATOM 0 HD2 TYR B 76 -6.244 -11.788 0.270 1.00 1.22 H new ATOM 0 HE1 TYR B 76 -5.926 -7.723 3.005 1.00 1.29 H new ATOM 0 HE2 TYR B 76 -7.015 -11.825 2.591 1.00 1.26 H new ATOM 0 HH TYR B 76 -7.310 -10.677 4.463 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.580 -8.502 -4.251 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.976 -7.692 -5.300 1.00 0.43 C ATOM 2791 C TRP B 77 -5.755 -6.396 -5.480 1.00 0.45 C ATOM 2792 O TRP B 77 -5.308 -5.500 -6.185 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.959 -8.444 -6.621 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.333 -8.800 -7.078 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -7.334 -7.934 -7.402 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.879 -10.114 -7.213 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.448 -8.629 -7.787 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -8.201 -9.971 -7.663 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.373 -11.395 -7.011 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -9.024 -11.067 -7.909 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.187 -12.479 -7.244 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.500 -12.312 -7.688 1.00 0.56 C ATOM 0 H TRP B 77 -5.993 -9.378 -4.570 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.952 -7.468 -5.001 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.471 -7.832 -7.380 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.366 -9.352 -6.514 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -7.259 -6.857 -7.361 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -9.321 -8.215 -8.114 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.356 -11.536 -6.676 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -10.037 -10.940 -8.261 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.804 -13.476 -7.081 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.115 -13.183 -7.861 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.945 -6.311 -4.883 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.741 -5.109 -4.985 1.00 0.47 C ATOM 2815 C ARG B 78 -7.263 -4.085 -3.978 1.00 0.49 C ATOM 2816 O ARG B 78 -7.340 -2.879 -4.207 1.00 0.62 O ATOM 2817 CB ARG B 78 -9.231 -5.400 -4.780 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.882 -6.062 -5.971 1.00 0.61 C ATOM 2819 CD ARG B 78 -10.358 -5.063 -7.019 1.00 0.77 C ATOM 2820 NE ARG B 78 -9.475 -3.899 -7.141 1.00 1.49 N ATOM 2821 CZ ARG B 78 -9.208 -3.275 -8.289 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -9.770 -3.665 -9.429 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -8.382 -2.238 -8.295 1.00 2.83 N ATOM 0 H ARG B 78 -7.367 -7.058 -4.331 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.618 -4.710 -5.992 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.352 -6.041 -3.907 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.750 -4.466 -4.564 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -9.173 -6.751 -6.429 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.730 -6.656 -5.631 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.427 -5.563 -7.985 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -11.362 -4.726 -6.762 1.00 0.77 H new ATOM 0 HE ARG B 78 -9.036 -3.543 -6.292 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -10.417 -4.453 -9.435 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -9.554 -3.176 -10.298 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -7.955 -1.921 -7.425 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -8.174 -1.757 -9.170 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.765 -4.584 -2.858 1.00 0.42 N ATOM 2838 CA LEU B 79 -6.274 -3.740 -1.806 1.00 0.45 C ATOM 2839 C LEU B 79 -4.845 -3.302 -2.105 1.00 0.46 C ATOM 2840 O LEU B 79 -4.278 -2.473 -1.393 1.00 0.53 O ATOM 2841 CB LEU B 79 -6.346 -4.460 -0.452 1.00 0.53 C ATOM 2842 CG LEU B 79 -7.019 -5.854 -0.389 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -7.214 -6.248 1.066 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -8.357 -5.907 -1.118 1.00 0.88 C ATOM 0 H LEU B 79 -6.694 -5.583 -2.663 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.906 -2.853 -1.752 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -5.327 -4.567 -0.079 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -6.873 -3.806 0.243 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.357 -6.556 -0.897 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -7.687 -7.228 1.117 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -6.246 -6.286 1.566 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -7.849 -5.512 1.560 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -8.776 -6.910 -1.037 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -9.044 -5.189 -0.670 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -8.209 -5.660 -2.169 1.00 0.88 H new ATOM 2856 N ILE B 80 -4.268 -3.866 -3.164 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.919 -3.535 -3.558 1.00 0.48 C ATOM 2858 C ILE B 80 -2.809 -2.043 -3.885 1.00 0.48 C ATOM 2859 O ILE B 80 -1.907 -1.357 -3.406 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.481 -4.405 -4.767 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -0.961 -4.402 -4.890 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.116 -3.917 -6.062 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.434 -5.419 -5.874 1.00 1.16 C ATOM 0 H ILE B 80 -4.724 -4.556 -3.761 1.00 0.44 H new ATOM 0 HA ILE B 80 -2.248 -3.749 -2.726 1.00 0.48 H new ATOM 0 HB ILE B 80 -2.825 -5.424 -4.591 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.631 -3.409 -5.195 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.525 -4.596 -3.910 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -2.788 -4.548 -6.888 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.201 -3.966 -5.976 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.813 -2.887 -6.250 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.654 -5.361 -5.910 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -0.734 -6.419 -5.560 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -0.841 -5.213 -6.864 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.740 -1.549 -4.701 1.00 0.47 N ATOM 2876 CA GLY B 81 -3.744 -0.148 -5.073 1.00 0.49 C ATOM 2877 C GLY B 81 -4.411 0.741 -4.033 1.00 0.43 C ATOM 2878 O GLY B 81 -4.420 1.964 -4.175 1.00 0.43 O ATOM 0 H GLY B 81 -4.494 -2.100 -5.111 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -2.717 0.185 -5.223 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.259 -0.032 -6.026 1.00 0.49 H new ATOM 2882 N GLU B 82 -4.976 0.133 -2.989 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.655 0.883 -1.938 1.00 0.39 C ATOM 2884 C GLU B 82 -4.655 1.548 -1.017 1.00 0.33 C ATOM 2885 O GLU B 82 -4.604 2.771 -0.914 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.527 -0.049 -1.135 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.698 -0.617 -1.919 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.630 0.461 -2.437 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -8.366 0.996 -3.534 1.00 1.39 O ATOM 2890 OE2 GLU B 82 -9.622 0.770 -1.745 1.00 1.48 O ATOM 0 H GLU B 82 -4.975 -0.878 -2.851 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.265 1.655 -2.407 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.917 -0.872 -0.762 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.909 0.484 -0.264 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.320 -1.200 -2.759 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.259 -1.302 -1.283 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.849 0.732 -0.341 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.835 1.252 0.563 1.00 0.35 C ATOM 2899 C LEU B 83 -2.017 2.302 -0.155 1.00 0.34 C ATOM 2900 O LEU B 83 -1.421 3.184 0.465 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.923 0.129 1.058 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.209 -0.364 2.476 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -1.472 -1.669 2.736 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.805 0.689 3.498 1.00 1.31 C ATOM 0 H LEU B 83 -3.880 -0.286 -0.404 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.328 1.697 1.427 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -2.008 -0.715 0.373 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.890 0.474 1.012 1.00 0.43 H new ATOM 0 HG LEU B 83 -3.280 -0.543 2.574 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -1.683 -2.011 3.749 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -1.804 -2.423 2.022 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -0.400 -1.510 2.623 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -2.016 0.321 4.502 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.739 0.897 3.404 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -2.370 1.604 3.321 1.00 1.31 H new ATOM 2916 N ALA B 84 -1.997 2.198 -1.477 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.269 3.148 -2.280 1.00 0.37 C ATOM 2918 C ALA B 84 -1.974 4.506 -2.302 1.00 0.41 C ATOM 2919 O ALA B 84 -1.322 5.548 -2.364 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.091 2.616 -3.686 1.00 0.41 C ATOM 0 H ALA B 84 -2.475 1.468 -2.005 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.285 3.291 -1.832 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.540 3.343 -4.283 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.536 1.678 -3.653 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.069 2.444 -4.136 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.313 4.494 -2.251 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.094 5.740 -2.235 1.00 0.51 C ATOM 2928 C LYS B 85 -3.522 6.707 -1.218 1.00 0.50 C ATOM 2929 O LYS B 85 -3.662 7.924 -1.340 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.563 5.459 -1.926 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.510 5.936 -3.014 1.00 1.19 C ATOM 2932 CD LYS B 85 -6.295 5.182 -4.315 1.00 1.44 C ATOM 2933 CE LYS B 85 -6.685 3.723 -4.170 1.00 1.56 C ATOM 2934 NZ LYS B 85 -6.403 2.942 -5.407 1.00 2.69 N ATOM 0 H LYS B 85 -3.875 3.643 -2.220 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.033 6.191 -3.225 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.698 4.387 -1.782 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -5.828 5.943 -0.986 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -7.540 5.805 -2.683 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -6.363 7.003 -3.183 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -6.885 5.642 -5.108 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -5.249 5.254 -4.613 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -6.142 3.284 -3.333 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -7.746 3.654 -3.932 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -7.108 2.184 -5.507 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -6.452 3.571 -6.234 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -5.452 2.525 -5.345 1.00 2.69 H new ATOM 2948 N GLU B 86 -2.875 6.145 -0.218 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.259 6.918 0.836 1.00 0.45 C ATOM 2950 C GLU B 86 -0.909 7.451 0.393 1.00 0.44 C ATOM 2951 O GLU B 86 -0.658 8.656 0.427 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.085 6.042 2.062 1.00 0.48 C ATOM 2953 CG GLU B 86 -3.244 5.091 2.285 1.00 0.98 C ATOM 2954 CD GLU B 86 -4.585 5.795 2.271 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -4.600 7.040 2.281 1.00 2.60 O ATOM 2956 OE2 GLU B 86 -5.622 5.104 2.242 1.00 2.90 O ATOM 0 H GLU B 86 -2.762 5.137 -0.115 1.00 0.44 H new ATOM 0 HA GLU B 86 -2.902 7.765 1.073 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.165 5.466 1.962 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -1.970 6.677 2.941 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.233 4.323 1.512 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -3.114 4.583 3.241 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.043 6.537 -0.023 1.00 0.44 N ATOM 2964 CA VAL B 87 1.287 6.904 -0.474 1.00 0.46 C ATOM 2965 C VAL B 87 1.251 7.578 -1.847 1.00 0.46 C ATOM 2966 O VAL B 87 2.282 8.020 -2.353 1.00 0.54 O ATOM 2967 CB VAL B 87 2.231 5.690 -0.506 1.00 0.55 C ATOM 2968 CG1 VAL B 87 3.669 6.155 -0.570 1.00 1.01 C ATOM 2969 CG2 VAL B 87 2.007 4.804 0.712 1.00 0.81 C ATOM 0 H VAL B 87 -0.240 5.537 -0.057 1.00 0.44 H new ATOM 0 HA VAL B 87 1.675 7.621 0.250 1.00 0.46 H new ATOM 0 HB VAL B 87 2.014 5.101 -1.397 1.00 0.55 H new ATOM 0 HG11 VAL B 87 4.331 5.289 -0.592 1.00 1.01 H new ATOM 0 HG12 VAL B 87 3.819 6.750 -1.471 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.895 6.762 0.307 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.684 3.951 0.671 1.00 0.81 H new ATOM 0 HG22 VAL B 87 2.200 5.377 1.619 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.976 4.449 0.719 1.00 0.81 H new ATOM 2979 N ARG B 88 0.061 7.663 -2.446 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.095 8.304 -3.745 1.00 0.51 C ATOM 2981 C ARG B 88 -0.027 9.818 -3.593 1.00 0.50 C ATOM 2982 O ARG B 88 0.925 10.453 -4.044 1.00 0.58 O ATOM 2983 CB ARG B 88 -1.424 7.895 -4.382 1.00 0.56 C ATOM 2984 CG ARG B 88 -1.481 8.126 -5.884 1.00 0.67 C ATOM 2985 CD ARG B 88 -1.325 9.597 -6.231 1.00 1.33 C ATOM 2986 NE ARG B 88 -1.578 9.854 -7.646 1.00 1.83 N ATOM 2987 CZ ARG B 88 -1.703 11.072 -8.162 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -1.599 12.138 -7.383 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -1.929 11.224 -9.460 1.00 3.50 N ATOM 0 H ARG B 88 -0.804 7.296 -2.050 1.00 0.49 H new ATOM 0 HA ARG B 88 0.717 7.980 -4.396 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -1.604 6.839 -4.179 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.231 8.453 -3.907 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -0.693 7.551 -6.371 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -2.431 7.759 -6.273 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -2.014 10.187 -5.626 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -0.317 9.925 -5.977 1.00 1.33 H new ATOM 0 HE ARG B 88 -1.664 9.054 -8.273 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -1.423 12.025 -6.385 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -1.695 13.072 -7.781 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -2.007 10.405 -10.063 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -2.025 12.160 -9.855 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.041 10.395 -2.953 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.079 11.837 -2.731 1.00 0.49 C ATOM 3005 C LYS B 89 0.201 12.277 -2.050 1.00 0.48 C ATOM 3006 O LYS B 89 0.771 13.327 -2.349 1.00 0.53 O ATOM 3007 CB LYS B 89 -2.298 12.205 -1.864 1.00 0.56 C ATOM 3008 CG LYS B 89 -2.042 12.237 -0.347 1.00 0.69 C ATOM 3009 CD LYS B 89 -1.520 13.597 0.095 1.00 1.55 C ATOM 3010 CE LYS B 89 -0.921 13.543 1.489 1.00 2.46 C ATOM 3011 NZ LYS B 89 -1.913 13.885 2.545 1.00 3.29 N ATOM 0 H LYS B 89 -1.844 9.888 -2.581 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.168 12.348 -3.690 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -2.662 13.184 -2.175 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.096 11.490 -2.066 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.965 12.009 0.185 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -1.321 11.464 -0.081 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -0.766 13.945 -0.612 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -2.333 14.323 0.076 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -0.527 12.544 1.674 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -0.079 14.233 1.547 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -1.524 14.629 3.158 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -2.790 14.225 2.101 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -2.119 13.040 3.115 1.00 3.29 H new ATOM 3025 N GLU B 90 0.631 11.442 -1.124 1.00 0.47 N ATOM 3026 CA GLU B 90 1.818 11.683 -0.347 1.00 0.52 C ATOM 3027 C GLU B 90 3.009 11.943 -1.254 1.00 0.56 C ATOM 3028 O GLU B 90 4.000 12.537 -0.836 1.00 0.62 O ATOM 3029 CB GLU B 90 2.043 10.487 0.565 1.00 0.56 C ATOM 3030 CG GLU B 90 1.245 10.580 1.850 1.00 0.62 C ATOM 3031 CD GLU B 90 1.770 11.664 2.774 1.00 1.24 C ATOM 3032 OE1 GLU B 90 1.411 12.843 2.574 1.00 1.93 O ATOM 3033 OE2 GLU B 90 2.549 11.334 3.693 1.00 1.93 O ATOM 0 H GLU B 90 0.156 10.569 -0.892 1.00 0.47 H new ATOM 0 HA GLU B 90 1.696 12.576 0.266 1.00 0.52 H new ATOM 0 HB2 GLU B 90 1.769 9.574 0.036 1.00 0.56 H new ATOM 0 HB3 GLU B 90 3.104 10.411 0.804 1.00 0.56 H new ATOM 0 HG2 GLU B 90 0.200 10.782 1.613 1.00 0.62 H new ATOM 0 HG3 GLU B 90 1.276 9.620 2.365 1.00 0.62 H new ATOM 3040 N LYS B 91 2.901 11.496 -2.501 1.00 0.54 N ATOM 3041 CA LYS B 91 3.949 11.713 -3.476 1.00 0.61 C ATOM 3042 C LYS B 91 4.172 13.208 -3.682 1.00 0.63 C ATOM 3043 O LYS B 91 5.293 13.691 -3.579 1.00 0.70 O ATOM 3044 CB LYS B 91 3.600 11.013 -4.791 1.00 0.62 C ATOM 3045 CG LYS B 91 2.757 11.833 -5.760 1.00 0.61 C ATOM 3046 CD LYS B 91 2.595 11.119 -7.093 1.00 0.67 C ATOM 3047 CE LYS B 91 1.859 11.986 -8.101 1.00 0.70 C ATOM 3048 NZ LYS B 91 1.701 11.300 -9.413 1.00 1.38 N ATOM 0 H LYS B 91 2.095 10.981 -2.855 1.00 0.54 H new ATOM 0 HA LYS B 91 4.879 11.283 -3.105 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.527 10.730 -5.290 1.00 0.62 H new ATOM 0 HB3 LYS B 91 3.067 10.090 -4.562 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.776 12.020 -5.324 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.225 12.804 -5.920 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.576 10.854 -7.487 1.00 0.67 H new ATOM 0 HD3 LYS B 91 2.049 10.188 -6.944 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.877 12.246 -7.707 1.00 0.70 H new ATOM 0 HE3 LYS B 91 2.403 12.920 -8.243 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 1.194 11.924 -10.072 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.639 11.074 -9.802 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 1.159 10.422 -9.283 1.00 1.38 H new ATOM 3062 N ALA B 92 3.095 13.932 -3.961 1.00 0.60 N ATOM 3063 CA ALA B 92 3.179 15.372 -4.185 1.00 0.65 C ATOM 3064 C ALA B 92 3.218 16.164 -2.885 1.00 0.63 C ATOM 3065 O ALA B 92 3.872 17.201 -2.812 1.00 0.69 O ATOM 3066 CB ALA B 92 2.026 15.839 -5.058 1.00 0.73 C ATOM 0 H ALA B 92 2.154 13.547 -4.038 1.00 0.60 H new ATOM 0 HA ALA B 92 4.121 15.561 -4.700 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.102 16.915 -5.216 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.067 15.327 -6.019 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.081 15.611 -4.565 1.00 0.73 H new ATOM 3072 N LEU B 93 2.509 15.700 -1.865 1.00 0.62 N ATOM 3073 CA LEU B 93 2.506 16.405 -0.590 1.00 0.65 C ATOM 3074 C LEU B 93 3.750 16.073 0.217 1.00 0.59 C ATOM 3075 O LEU B 93 4.177 16.850 1.071 1.00 0.63 O ATOM 3076 CB LEU B 93 1.268 16.071 0.235 1.00 0.74 C ATOM 3077 CG LEU B 93 0.987 17.075 1.350 1.00 0.81 C ATOM 3078 CD1 LEU B 93 0.112 18.204 0.836 1.00 1.03 C ATOM 3079 CD2 LEU B 93 0.343 16.396 2.550 1.00 0.95 C ATOM 0 H LEU B 93 1.939 14.855 -1.892 1.00 0.62 H new ATOM 0 HA LEU B 93 2.496 17.471 -0.818 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.403 16.024 -0.426 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.390 15.080 0.672 1.00 0.74 H new ATOM 0 HG LEU B 93 1.938 17.495 1.677 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.080 18.912 1.642 1.00 1.03 H new ATOM 0 HD12 LEU B 93 0.620 18.715 0.018 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -0.834 17.797 0.478 1.00 1.03 H new ATOM 0 HD21 LEU B 93 0.154 17.135 3.328 1.00 0.95 H new ATOM 0 HD22 LEU B 93 -0.599 15.939 2.247 1.00 0.95 H new ATOM 0 HD23 LEU B 93 1.012 15.626 2.935 1.00 0.95 H new ATOM 3091 N GLY B 94 4.328 14.909 -0.058 1.00 0.53 N ATOM 3092 CA GLY B 94 5.517 14.477 0.651 1.00 0.51 C ATOM 3093 C GLY B 94 6.530 15.583 0.845 1.00 0.52 C ATOM 3094 O GLY B 94 7.176 15.655 1.889 1.00 0.57 O ATOM 0 H GLY B 94 3.991 14.254 -0.764 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.228 14.083 1.625 1.00 0.51 H new ATOM 0 HA3 GLY B 94 5.983 13.659 0.102 1.00 0.51 H new ATOM 3098 N ILE B 95 6.694 16.421 -0.176 1.00 0.53 N ATOM 3099 CA ILE B 95 7.645 17.520 -0.112 1.00 0.57 C ATOM 3100 C ILE B 95 7.267 18.535 0.950 1.00 0.60 C ATOM 3101 O ILE B 95 6.959 19.686 0.641 1.00 0.67 O ATOM 3102 CB ILE B 95 7.785 18.255 -1.457 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.415 18.588 -2.048 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.607 17.441 -2.421 1.00 1.13 C ATOM 3105 CD1 ILE B 95 6.486 19.442 -3.296 1.00 1.68 C ATOM 0 H ILE B 95 6.180 16.357 -1.055 1.00 0.53 H new ATOM 0 HA ILE B 95 8.599 17.060 0.144 1.00 0.57 H new ATOM 0 HB ILE B 95 8.304 19.196 -1.277 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.894 17.660 -2.282 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.820 19.107 -1.296 1.00 1.32 H new ATOM 0 HG21 ILE B 95 8.695 17.976 -3.366 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.600 17.276 -2.003 1.00 1.13 H new ATOM 0 HG23 ILE B 95 8.121 16.480 -2.592 1.00 1.13 H new ATOM 0 HD11 ILE B 95 5.478 19.639 -3.660 1.00 1.68 H new ATOM 0 HD12 ILE B 95 6.978 20.386 -3.063 1.00 1.68 H new ATOM 0 HD13 ILE B 95 7.053 18.917 -4.064 1.00 1.68 H new ATOM 3117 N ARG B 96 7.286 18.109 2.205 1.00 0.64 N ATOM 3118 CA ARG B 96 6.980 19.013 3.298 1.00 0.74 C ATOM 3119 C ARG B 96 7.955 20.181 3.249 1.00 0.82 C ATOM 3120 O ARG B 96 7.664 21.278 3.727 1.00 0.93 O ATOM 3121 CB ARG B 96 7.065 18.281 4.639 1.00 0.84 C ATOM 3122 CG ARG B 96 8.449 17.746 4.957 1.00 1.65 C ATOM 3123 CD ARG B 96 9.265 18.755 5.746 1.00 2.45 C ATOM 3124 NE ARG B 96 8.770 18.906 7.111 1.00 2.91 N ATOM 3125 CZ ARG B 96 9.325 19.713 8.009 1.00 3.85 C ATOM 3126 NH1 ARG B 96 10.386 20.439 7.685 1.00 4.47 N ATOM 3127 NH2 ARG B 96 8.818 19.796 9.231 1.00 4.48 N ATOM 0 H ARG B 96 7.508 17.154 2.487 1.00 0.64 H new ATOM 0 HA ARG B 96 5.962 19.388 3.196 1.00 0.74 H new ATOM 0 HB2 ARG B 96 6.757 18.960 5.434 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.357 17.452 4.636 1.00 0.84 H new ATOM 0 HG2 ARG B 96 8.361 16.821 5.527 1.00 1.65 H new ATOM 0 HG3 ARG B 96 8.968 17.501 4.030 1.00 1.65 H new ATOM 0 HD2 ARG B 96 10.308 18.439 5.771 1.00 2.45 H new ATOM 0 HD3 ARG B 96 9.236 19.720 5.240 1.00 2.45 H new ATOM 0 HE ARG B 96 7.954 18.362 7.391 1.00 2.91 H new ATOM 0 HH11 ARG B 96 10.778 20.379 6.745 1.00 4.47 H new ATOM 0 HH12 ARG B 96 10.811 21.058 8.376 1.00 4.47 H new ATOM 0 HH21 ARG B 96 8.001 19.240 9.483 1.00 4.48 H new ATOM 0 HH22 ARG B 96 9.245 20.416 9.919 1.00 4.48 H new ATOM 3141 N LYS B 97 9.122 19.922 2.656 1.00 0.82 N ATOM 3142 CA LYS B 97 10.152 20.932 2.497 1.00 0.94 C ATOM 3143 C LYS B 97 9.980 21.654 1.167 1.00 0.93 C ATOM 3144 O LYS B 97 10.608 21.300 0.169 1.00 0.98 O ATOM 3145 CB LYS B 97 11.539 20.289 2.578 1.00 1.07 C ATOM 3146 CG LYS B 97 11.787 19.216 1.525 1.00 1.00 C ATOM 3147 CD LYS B 97 12.687 18.117 2.063 1.00 1.56 C ATOM 3148 CE LYS B 97 11.879 16.994 2.688 1.00 1.83 C ATOM 3149 NZ LYS B 97 12.694 16.190 3.640 1.00 2.90 N ATOM 0 H LYS B 97 9.372 19.009 2.277 1.00 0.82 H new ATOM 0 HA LYS B 97 10.058 21.660 3.303 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.295 21.067 2.474 1.00 1.07 H new ATOM 0 HB3 LYS B 97 11.667 19.849 3.567 1.00 1.07 H new ATOM 0 HG2 LYS B 97 10.836 18.788 1.207 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.245 19.666 0.644 1.00 1.00 H new ATOM 0 HD2 LYS B 97 13.301 17.719 1.255 1.00 1.56 H new ATOM 0 HD3 LYS B 97 13.368 18.533 2.805 1.00 1.56 H new ATOM 0 HE2 LYS B 97 11.018 17.412 3.210 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.491 16.345 1.903 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 12.128 15.393 3.994 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 13.538 15.826 3.153 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 12.986 16.789 4.438 1.00 2.90 H new ATOM 3163 N LYS B 98 9.115 22.661 1.161 1.00 0.96 N ATOM 3164 CA LYS B 98 8.851 23.437 -0.044 1.00 1.06 C ATOM 3165 C LYS B 98 9.574 24.778 0.004 1.00 1.21 C ATOM 3166 O LYS B 98 8.979 25.753 0.510 1.00 1.61 O ATOM 3167 CB LYS B 98 7.346 23.661 -0.212 1.00 1.07 C ATOM 3168 CG LYS B 98 6.539 22.374 -0.282 1.00 1.07 C ATOM 3169 CD LYS B 98 5.086 22.651 -0.633 1.00 1.52 C ATOM 3170 CE LYS B 98 4.291 21.365 -0.781 1.00 2.00 C ATOM 3171 NZ LYS B 98 2.860 21.629 -1.104 1.00 2.73 N ATOM 3172 OXT LYS B 98 10.730 24.844 -0.465 1.00 1.70 O ATOM 0 H LYS B 98 8.584 22.960 1.979 1.00 0.96 H new ATOM 0 HA LYS B 98 9.225 22.873 -0.899 1.00 1.06 H new ATOM 0 HB2 LYS B 98 6.982 24.262 0.621 1.00 1.07 H new ATOM 0 HB3 LYS B 98 7.173 24.238 -1.121 1.00 1.07 H new ATOM 0 HG2 LYS B 98 6.975 21.709 -1.028 1.00 1.07 H new ATOM 0 HG3 LYS B 98 6.592 21.857 0.676 1.00 1.07 H new ATOM 0 HD2 LYS B 98 4.636 23.271 0.143 1.00 1.52 H new ATOM 0 HD3 LYS B 98 5.037 23.218 -1.562 1.00 1.52 H new ATOM 0 HE2 LYS B 98 4.734 20.753 -1.567 1.00 2.00 H new ATOM 0 HE3 LYS B 98 4.354 20.791 0.143 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 2.353 20.726 -1.197 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 2.430 22.191 -0.342 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 2.797 22.155 -1.999 1.00 2.73 H new