USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 809 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 73 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 76 THR OG1 : rot 134:sc= 0.909 USER MOD Set 2.1: A 32 CYS SG : rot -153:sc= -1.35! USER MOD Set 2.2: A 35 CYS SG : rot 180:sc= 0.302 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= -0.0985 (180deg=-1.21) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.1) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= -0.0329 (180deg=-0.334) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0402) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0344 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.122) USER MOD Single : A 43 HIS : no HE2:sc= -0.119 K(o=-0.12,f=-5.1!) USER MOD Single : A 44 SER OG : rot 4:sc= 0.359! USER MOD Single : A 46 SER OG : rot 180:sc= 0.036 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.41) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.335 USER MOD Single : A 63 GLN : amide:sc=-0.00744 X(o=-0.0074,f=0) USER MOD Single : A 67 SER OG : rot 92:sc= 0.146 USER MOD Single : A 69 CYS SG : rot 144:sc= 0.87 USER MOD Single : A 72 LYS NZ :NH3+ 150:sc= -0.232 (180deg=-1.13) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.924 K(o=-0.92,f=-3.7) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -138:sc= 0.0141 (180deg=-0.203) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 85 LYS NZ :NH3+ -128:sc= -0.611 (180deg=-2.12!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -4.33! K(o=-4.3!,f=-0.45) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -5.87! (180deg=-7.74!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 100:sc= 0.43 USER MOD Single : A 102 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.084 -3.072 7.423 1.00 2.42 N ATOM 2 CA MET A 1 -6.625 -1.827 8.107 1.00 1.81 C ATOM 3 C MET A 1 -5.151 -1.576 7.774 1.00 1.31 C ATOM 4 O MET A 1 -4.497 -2.407 7.175 1.00 1.45 O ATOM 5 CB MET A 1 -6.781 -1.956 9.623 1.00 1.12 C ATOM 6 CG MET A 1 -5.826 -3.036 10.136 1.00 1.96 C ATOM 7 SD MET A 1 -6.392 -4.057 11.519 1.00 1.94 S ATOM 8 CE MET A 1 -6.802 -5.534 10.557 1.00 3.86 C ATOM 0 H1 MET A 1 -7.834 -2.837 6.742 1.00 2.42 H new ATOM 0 H2 MET A 1 -6.284 -3.507 6.921 1.00 2.42 H new ATOM 0 H3 MET A 1 -7.454 -3.740 8.129 1.00 2.42 H new ATOM 0 HA MET A 1 -7.235 -0.994 7.758 1.00 1.81 H new ATOM 0 HB2 MET A 1 -6.564 -1.003 10.105 1.00 1.12 H new ATOM 0 HB3 MET A 1 -7.810 -2.214 9.874 1.00 1.12 H new ATOM 0 HG2 MET A 1 -5.587 -3.698 9.304 1.00 1.96 H new ATOM 0 HG3 MET A 1 -4.897 -2.550 10.434 1.00 1.96 H new ATOM 0 HE1 MET A 1 -7.179 -6.309 11.224 1.00 3.86 H new ATOM 0 HE2 MET A 1 -7.565 -5.287 9.819 1.00 3.86 H new ATOM 0 HE3 MET A 1 -5.909 -5.896 10.048 1.00 3.86 H new ATOM 20 N VAL A 2 -4.662 -0.435 8.171 1.00 0.81 N ATOM 21 CA VAL A 2 -3.234 -0.113 7.888 1.00 0.37 C ATOM 22 C VAL A 2 -2.317 -1.134 8.564 1.00 0.35 C ATOM 23 O VAL A 2 -2.465 -1.426 9.734 1.00 0.46 O ATOM 24 CB VAL A 2 -2.923 1.280 8.414 1.00 0.48 C ATOM 25 CG1 VAL A 2 -1.470 1.620 8.095 1.00 0.84 C ATOM 26 CG2 VAL A 2 -3.832 2.290 7.721 1.00 0.38 C ATOM 0 H VAL A 2 -5.183 0.283 8.675 1.00 0.81 H new ATOM 0 HA VAL A 2 -3.065 -0.149 6.812 1.00 0.37 H new ATOM 0 HB VAL A 2 -3.085 1.313 9.491 1.00 0.48 H new ATOM 0 HG11 VAL A 2 -1.239 2.617 8.469 1.00 0.84 H new ATOM 0 HG12 VAL A 2 -0.813 0.893 8.572 1.00 0.84 H new ATOM 0 HG13 VAL A 2 -1.318 1.593 7.016 1.00 0.84 H new ATOM 0 HG21 VAL A 2 -3.614 3.291 8.094 1.00 0.38 H new ATOM 0 HG22 VAL A 2 -3.659 2.257 6.645 1.00 0.38 H new ATOM 0 HG23 VAL A 2 -4.874 2.044 7.928 1.00 0.38 H new ATOM 36 N LYS A 3 -1.389 -1.655 7.810 1.00 0.34 N ATOM 37 CA LYS A 3 -0.452 -2.663 8.388 1.00 0.31 C ATOM 38 C LYS A 3 0.950 -2.478 7.798 1.00 0.27 C ATOM 39 O LYS A 3 1.106 -2.304 6.605 1.00 0.25 O ATOM 40 CB LYS A 3 -0.965 -4.064 8.058 1.00 0.28 C ATOM 41 CG LYS A 3 -0.111 -5.100 8.790 1.00 0.31 C ATOM 42 CD LYS A 3 -0.785 -6.468 8.687 1.00 0.48 C ATOM 43 CE LYS A 3 -1.698 -6.672 9.897 1.00 1.61 C ATOM 44 NZ LYS A 3 -2.771 -7.655 9.581 1.00 2.17 N ATOM 0 H LYS A 3 -1.238 -1.430 6.827 1.00 0.34 H new ATOM 0 HA LYS A 3 -0.399 -2.531 9.469 1.00 0.31 H new ATOM 0 HB2 LYS A 3 -2.009 -4.161 8.355 1.00 0.28 H new ATOM 0 HB3 LYS A 3 -0.923 -4.235 6.982 1.00 0.28 H new ATOM 0 HG2 LYS A 3 0.888 -5.139 8.355 1.00 0.31 H new ATOM 0 HG3 LYS A 3 0.008 -4.818 9.836 1.00 0.31 H new ATOM 0 HD2 LYS A 3 -1.363 -6.533 7.765 1.00 0.48 H new ATOM 0 HD3 LYS A 3 -0.032 -7.255 8.648 1.00 0.48 H new ATOM 0 HE2 LYS A 3 -1.113 -7.024 10.746 1.00 1.61 H new ATOM 0 HE3 LYS A 3 -2.143 -5.721 10.189 1.00 1.61 H new ATOM 0 HZ1 LYS A 3 -3.382 -7.782 10.413 1.00 2.17 H new ATOM 0 HZ2 LYS A 3 -3.340 -7.304 8.784 1.00 2.17 H new ATOM 0 HZ3 LYS A 3 -2.342 -8.567 9.325 1.00 2.17 H new ATOM 58 N GLN A 4 1.940 -2.521 8.648 1.00 0.40 N ATOM 59 CA GLN A 4 3.337 -2.347 8.152 1.00 0.37 C ATOM 60 C GLN A 4 3.981 -3.713 7.891 1.00 0.34 C ATOM 61 O GLN A 4 3.823 -4.636 8.664 1.00 0.36 O ATOM 62 CB GLN A 4 4.150 -1.591 9.201 1.00 0.44 C ATOM 63 CG GLN A 4 5.582 -1.416 8.694 1.00 0.35 C ATOM 64 CD GLN A 4 6.221 -0.212 9.390 1.00 0.50 C ATOM 65 OE1 GLN A 4 5.589 0.805 9.600 1.00 1.44 O ATOM 66 NE2 GLN A 4 7.469 -0.285 9.764 1.00 1.03 N ATOM 0 H GLN A 4 1.845 -2.667 9.653 1.00 0.40 H new ATOM 0 HA GLN A 4 3.319 -1.783 7.219 1.00 0.37 H new ATOM 0 HB2 GLN A 4 3.699 -0.618 9.397 1.00 0.44 H new ATOM 0 HB3 GLN A 4 4.149 -2.138 10.144 1.00 0.44 H new ATOM 0 HG2 GLN A 4 6.163 -2.316 8.893 1.00 0.35 H new ATOM 0 HG3 GLN A 4 5.582 -1.269 7.614 1.00 0.35 H new ATOM 0 HE21 GLN A 4 8.004 -1.136 9.591 1.00 1.03 H new ATOM 0 HE22 GLN A 4 7.909 0.509 10.230 1.00 1.03 H new ATOM 75 N ILE A 5 4.697 -3.807 6.805 1.00 0.29 N ATOM 76 CA ILE A 5 5.360 -5.103 6.468 1.00 0.27 C ATOM 77 C ILE A 5 6.801 -5.099 7.004 1.00 0.28 C ATOM 78 O ILE A 5 7.217 -4.159 7.653 1.00 0.29 O ATOM 79 CB ILE A 5 5.376 -5.279 4.933 1.00 0.20 C ATOM 80 CG1 ILE A 5 3.957 -5.057 4.345 1.00 0.16 C ATOM 81 CG2 ILE A 5 5.882 -6.685 4.562 1.00 0.21 C ATOM 82 CD1 ILE A 5 3.063 -6.288 4.577 1.00 0.45 C ATOM 0 H ILE A 5 4.853 -3.050 6.139 1.00 0.29 H new ATOM 0 HA ILE A 5 4.811 -5.927 6.925 1.00 0.27 H new ATOM 0 HB ILE A 5 6.051 -4.535 4.510 1.00 0.20 H new ATOM 0 HG12 ILE A 5 3.502 -4.181 4.806 1.00 0.16 H new ATOM 0 HG13 ILE A 5 4.030 -4.853 3.277 1.00 0.16 H new ATOM 0 HG21 ILE A 5 5.888 -6.795 3.478 1.00 0.21 H new ATOM 0 HG22 ILE A 5 6.893 -6.821 4.946 1.00 0.21 H new ATOM 0 HG23 ILE A 5 5.224 -7.436 4.999 1.00 0.21 H new ATOM 0 HD11 ILE A 5 2.075 -6.105 4.155 1.00 0.45 H new ATOM 0 HD12 ILE A 5 3.508 -7.157 4.094 1.00 0.45 H new ATOM 0 HD13 ILE A 5 2.972 -6.475 5.647 1.00 0.45 H new ATOM 94 N GLU A 6 7.531 -6.146 6.724 1.00 0.31 N ATOM 95 CA GLU A 6 8.939 -6.208 7.219 1.00 0.34 C ATOM 96 C GLU A 6 9.822 -6.983 6.233 1.00 0.35 C ATOM 97 O GLU A 6 10.936 -6.588 5.955 1.00 0.49 O ATOM 98 CB GLU A 6 8.956 -6.907 8.576 1.00 0.31 C ATOM 99 CG GLU A 6 10.375 -7.396 8.867 1.00 1.53 C ATOM 100 CD GLU A 6 10.558 -7.556 10.378 1.00 1.75 C ATOM 101 OE1 GLU A 6 9.866 -8.402 10.920 1.00 1.22 O ATOM 102 OE2 GLU A 6 11.377 -6.823 10.905 1.00 2.79 O ATOM 0 H GLU A 6 7.220 -6.952 6.181 1.00 0.31 H new ATOM 0 HA GLU A 6 9.330 -5.195 7.313 1.00 0.34 H new ATOM 0 HB2 GLU A 6 8.627 -6.221 9.357 1.00 0.31 H new ATOM 0 HB3 GLU A 6 8.261 -7.747 8.576 1.00 0.31 H new ATOM 0 HG2 GLU A 6 10.554 -8.347 8.365 1.00 1.53 H new ATOM 0 HG3 GLU A 6 11.104 -6.687 8.474 1.00 1.53 H new ATOM 109 N SER A 7 9.307 -8.074 5.728 1.00 0.26 N ATOM 110 CA SER A 7 10.109 -8.887 4.763 1.00 0.27 C ATOM 111 C SER A 7 9.204 -9.450 3.661 1.00 0.25 C ATOM 112 O SER A 7 8.020 -9.181 3.629 1.00 0.23 O ATOM 113 CB SER A 7 10.774 -10.038 5.514 1.00 0.29 C ATOM 114 OG SER A 7 9.697 -10.698 6.162 1.00 0.31 O ATOM 0 H SER A 7 8.376 -8.435 5.938 1.00 0.26 H new ATOM 0 HA SER A 7 10.868 -8.253 4.304 1.00 0.27 H new ATOM 0 HB2 SER A 7 11.300 -10.707 4.833 1.00 0.29 H new ATOM 0 HB3 SER A 7 11.508 -9.674 6.232 1.00 0.29 H new ATOM 0 HG SER A 7 10.040 -11.461 6.672 1.00 0.31 H new ATOM 120 N LYS A 8 9.783 -10.221 2.780 1.00 0.26 N ATOM 121 CA LYS A 8 8.970 -10.807 1.675 1.00 0.25 C ATOM 122 C LYS A 8 8.078 -11.922 2.213 1.00 0.24 C ATOM 123 O LYS A 8 6.913 -12.009 1.879 1.00 0.20 O ATOM 124 CB LYS A 8 9.907 -11.371 0.607 1.00 0.26 C ATOM 125 CG LYS A 8 9.079 -11.854 -0.587 1.00 0.29 C ATOM 126 CD LYS A 8 9.351 -13.342 -0.821 1.00 0.85 C ATOM 127 CE LYS A 8 8.591 -13.801 -2.067 1.00 1.04 C ATOM 128 NZ LYS A 8 7.919 -15.107 -1.815 1.00 2.24 N ATOM 0 H LYS A 8 10.773 -10.469 2.776 1.00 0.26 H new ATOM 0 HA LYS A 8 8.340 -10.030 1.241 1.00 0.25 H new ATOM 0 HB2 LYS A 8 10.615 -10.607 0.288 1.00 0.26 H new ATOM 0 HB3 LYS A 8 10.491 -12.195 1.017 1.00 0.26 H new ATOM 0 HG2 LYS A 8 8.018 -11.692 -0.398 1.00 0.29 H new ATOM 0 HG3 LYS A 8 9.335 -11.281 -1.478 1.00 0.29 H new ATOM 0 HD2 LYS A 8 10.420 -13.513 -0.948 1.00 0.85 H new ATOM 0 HD3 LYS A 8 9.036 -13.923 0.046 1.00 0.85 H new ATOM 0 HE2 LYS A 8 7.850 -13.052 -2.345 1.00 1.04 H new ATOM 0 HE3 LYS A 8 9.280 -13.895 -2.906 1.00 1.04 H new ATOM 0 HZ1 LYS A 8 7.134 -15.229 -2.486 1.00 2.24 H new ATOM 0 HZ2 LYS A 8 8.604 -15.880 -1.940 1.00 2.24 H new ATOM 0 HZ3 LYS A 8 7.550 -15.126 -0.843 1.00 2.24 H new ATOM 142 N THR A 9 8.645 -12.747 3.034 1.00 0.29 N ATOM 143 CA THR A 9 7.852 -13.864 3.614 1.00 0.30 C ATOM 144 C THR A 9 6.546 -13.322 4.180 1.00 0.24 C ATOM 145 O THR A 9 5.519 -13.971 4.133 1.00 0.22 O ATOM 146 CB THR A 9 8.659 -14.526 4.732 1.00 0.37 C ATOM 147 OG1 THR A 9 9.759 -15.141 4.070 1.00 0.33 O ATOM 148 CG2 THR A 9 7.887 -15.671 5.379 1.00 0.48 C ATOM 0 H THR A 9 9.620 -12.701 3.331 1.00 0.29 H new ATOM 0 HA THR A 9 7.631 -14.597 2.838 1.00 0.30 H new ATOM 0 HB THR A 9 8.916 -13.788 5.492 1.00 0.37 H new ATOM 0 HG1 THR A 9 10.329 -15.589 4.730 1.00 0.33 H new ATOM 0 HG21 THR A 9 8.492 -16.117 6.169 1.00 0.48 H new ATOM 0 HG22 THR A 9 6.959 -15.289 5.805 1.00 0.48 H new ATOM 0 HG23 THR A 9 7.658 -16.426 4.627 1.00 0.48 H new ATOM 156 N ALA A 10 6.621 -12.140 4.704 1.00 0.23 N ATOM 157 CA ALA A 10 5.410 -11.509 5.283 1.00 0.21 C ATOM 158 C ALA A 10 4.487 -11.012 4.170 1.00 0.15 C ATOM 159 O ALA A 10 3.328 -11.362 4.123 1.00 0.12 O ATOM 160 CB ALA A 10 5.833 -10.331 6.149 1.00 0.27 C ATOM 0 H ALA A 10 7.471 -11.579 4.758 1.00 0.23 H new ATOM 0 HA ALA A 10 4.874 -12.245 5.883 1.00 0.21 H new ATOM 0 HB1 ALA A 10 4.949 -9.860 6.579 1.00 0.27 H new ATOM 0 HB2 ALA A 10 6.483 -10.683 6.950 1.00 0.27 H new ATOM 0 HB3 ALA A 10 6.370 -9.605 5.539 1.00 0.27 H new ATOM 166 N PHE A 11 5.031 -10.197 3.301 1.00 0.16 N ATOM 167 CA PHE A 11 4.213 -9.655 2.173 1.00 0.15 C ATOM 168 C PHE A 11 3.307 -10.748 1.604 1.00 0.12 C ATOM 169 O PHE A 11 2.228 -10.476 1.121 1.00 0.10 O ATOM 170 CB PHE A 11 5.160 -9.149 1.082 1.00 0.13 C ATOM 171 CG PHE A 11 4.353 -8.511 -0.054 1.00 0.18 C ATOM 172 CD1 PHE A 11 3.699 -7.306 0.138 1.00 0.29 C ATOM 173 CD2 PHE A 11 4.270 -9.131 -1.289 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.975 -6.732 -0.889 1.00 0.33 C ATOM 175 CE2 PHE A 11 3.546 -8.556 -2.314 1.00 0.21 C ATOM 176 CZ PHE A 11 2.900 -7.357 -2.115 1.00 0.28 C ATOM 0 H PHE A 11 6.002 -9.885 3.323 1.00 0.16 H new ATOM 0 HA PHE A 11 3.586 -8.839 2.534 1.00 0.15 H new ATOM 0 HB2 PHE A 11 5.854 -8.420 1.500 1.00 0.13 H new ATOM 0 HB3 PHE A 11 5.758 -9.974 0.696 1.00 0.13 H new ATOM 0 HD1 PHE A 11 3.755 -6.812 1.097 1.00 0.29 H new ATOM 0 HD2 PHE A 11 4.775 -10.071 -1.452 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.467 -5.792 -0.731 1.00 0.33 H new ATOM 0 HE2 PHE A 11 3.486 -9.048 -3.274 1.00 0.21 H new ATOM 0 HZ PHE A 11 2.335 -6.907 -2.918 1.00 0.28 H new ATOM 186 N GLN A 12 3.770 -11.962 1.673 1.00 0.12 N ATOM 187 CA GLN A 12 2.949 -13.092 1.140 1.00 0.10 C ATOM 188 C GLN A 12 1.821 -13.439 2.111 1.00 0.11 C ATOM 189 O GLN A 12 0.697 -13.666 1.711 1.00 0.14 O ATOM 190 CB GLN A 12 3.847 -14.311 0.937 1.00 0.11 C ATOM 191 CG GLN A 12 4.906 -13.983 -0.118 1.00 0.91 C ATOM 192 CD GLN A 12 4.521 -14.643 -1.444 1.00 0.91 C ATOM 193 OE1 GLN A 12 4.332 -15.840 -1.522 1.00 1.25 O ATOM 194 NE2 GLN A 12 4.395 -13.899 -2.508 1.00 1.66 N ATOM 0 H GLN A 12 4.672 -12.224 2.070 1.00 0.12 H new ATOM 0 HA GLN A 12 2.507 -12.794 0.189 1.00 0.10 H new ATOM 0 HB2 GLN A 12 4.325 -14.586 1.877 1.00 0.11 H new ATOM 0 HB3 GLN A 12 3.252 -15.167 0.619 1.00 0.11 H new ATOM 0 HG2 GLN A 12 4.986 -12.903 -0.246 1.00 0.91 H new ATOM 0 HG3 GLN A 12 5.883 -14.339 0.208 1.00 0.91 H new ATOM 0 HE21 GLN A 12 4.553 -12.893 -2.448 1.00 1.66 H new ATOM 0 HE22 GLN A 12 4.139 -14.323 -3.400 1.00 1.66 H new ATOM 203 N GLU A 13 2.149 -13.471 3.364 1.00 0.29 N ATOM 204 CA GLU A 13 1.119 -13.810 4.390 1.00 0.32 C ATOM 205 C GLU A 13 0.113 -12.663 4.539 1.00 0.36 C ATOM 206 O GLU A 13 -1.052 -12.887 4.802 1.00 0.40 O ATOM 207 CB GLU A 13 1.811 -14.060 5.730 1.00 0.34 C ATOM 208 CG GLU A 13 2.751 -15.260 5.593 1.00 0.34 C ATOM 209 CD GLU A 13 2.190 -16.439 6.390 1.00 0.95 C ATOM 210 OE1 GLU A 13 1.265 -17.048 5.878 1.00 2.05 O ATOM 211 OE2 GLU A 13 2.718 -16.664 7.467 1.00 1.26 O ATOM 0 H GLU A 13 3.082 -13.279 3.729 1.00 0.29 H new ATOM 0 HA GLU A 13 0.583 -14.705 4.074 1.00 0.32 H new ATOM 0 HB2 GLU A 13 2.372 -13.176 6.034 1.00 0.34 H new ATOM 0 HB3 GLU A 13 1.070 -14.250 6.506 1.00 0.34 H new ATOM 0 HG2 GLU A 13 2.858 -15.534 4.543 1.00 0.34 H new ATOM 0 HG3 GLU A 13 3.745 -15.001 5.957 1.00 0.34 H new ATOM 218 N ALA A 14 0.583 -11.459 4.367 1.00 0.36 N ATOM 219 CA ALA A 14 -0.335 -10.291 4.496 1.00 0.40 C ATOM 220 C ALA A 14 -1.428 -10.366 3.429 1.00 0.40 C ATOM 221 O ALA A 14 -2.570 -10.041 3.683 1.00 0.50 O ATOM 222 CB ALA A 14 0.466 -9.002 4.319 1.00 0.40 C ATOM 0 H ALA A 14 1.553 -11.233 4.145 1.00 0.36 H new ATOM 0 HA ALA A 14 -0.801 -10.303 5.482 1.00 0.40 H new ATOM 0 HB1 ALA A 14 -0.200 -8.144 4.412 1.00 0.40 H new ATOM 0 HB2 ALA A 14 1.239 -8.946 5.085 1.00 0.40 H new ATOM 0 HB3 ALA A 14 0.931 -8.995 3.333 1.00 0.40 H new ATOM 228 N LEU A 15 -1.052 -10.793 2.256 1.00 0.28 N ATOM 229 CA LEU A 15 -2.060 -10.901 1.164 1.00 0.26 C ATOM 230 C LEU A 15 -2.938 -12.132 1.389 1.00 0.30 C ATOM 231 O LEU A 15 -3.984 -12.273 0.787 1.00 0.35 O ATOM 232 CB LEU A 15 -1.335 -11.023 -0.182 1.00 0.18 C ATOM 233 CG LEU A 15 -0.511 -9.750 -0.441 1.00 0.19 C ATOM 234 CD1 LEU A 15 0.255 -9.909 -1.754 1.00 0.14 C ATOM 235 CD2 LEU A 15 -1.442 -8.538 -0.554 1.00 0.21 C ATOM 0 H LEU A 15 -0.102 -11.069 2.007 1.00 0.28 H new ATOM 0 HA LEU A 15 -2.690 -10.011 1.161 1.00 0.26 H new ATOM 0 HB2 LEU A 15 -0.683 -11.896 -0.177 1.00 0.18 H new ATOM 0 HB3 LEU A 15 -2.058 -11.170 -0.984 1.00 0.18 H new ATOM 0 HG LEU A 15 0.183 -9.598 0.386 1.00 0.19 H new ATOM 0 HD11 LEU A 15 0.842 -9.010 -1.944 1.00 0.14 H new ATOM 0 HD12 LEU A 15 0.921 -10.769 -1.685 1.00 0.14 H new ATOM 0 HD13 LEU A 15 -0.451 -10.061 -2.571 1.00 0.14 H new ATOM 0 HD21 LEU A 15 -0.851 -7.641 -0.737 1.00 0.21 H new ATOM 0 HD22 LEU A 15 -2.138 -8.689 -1.380 1.00 0.21 H new ATOM 0 HD23 LEU A 15 -2.001 -8.421 0.374 1.00 0.21 H new ATOM 247 N ASP A 16 -2.492 -12.996 2.256 1.00 0.29 N ATOM 248 CA ASP A 16 -3.287 -14.226 2.543 1.00 0.34 C ATOM 249 C ASP A 16 -4.164 -14.006 3.777 1.00 0.43 C ATOM 250 O ASP A 16 -5.121 -14.722 4.000 1.00 0.49 O ATOM 251 CB ASP A 16 -2.336 -15.395 2.793 1.00 0.29 C ATOM 252 CG ASP A 16 -3.016 -16.700 2.375 1.00 0.27 C ATOM 253 OD1 ASP A 16 -4.122 -16.910 2.847 1.00 1.31 O ATOM 254 OD2 ASP A 16 -2.392 -17.415 1.607 1.00 1.32 O ATOM 0 H ASP A 16 -1.619 -12.907 2.776 1.00 0.29 H new ATOM 0 HA ASP A 16 -3.926 -14.449 1.689 1.00 0.34 H new ATOM 0 HB2 ASP A 16 -1.414 -15.255 2.229 1.00 0.29 H new ATOM 0 HB3 ASP A 16 -2.062 -15.436 3.847 1.00 0.29 H new ATOM 259 N ALA A 17 -3.816 -13.018 4.549 1.00 0.46 N ATOM 260 CA ALA A 17 -4.615 -12.727 5.774 1.00 0.55 C ATOM 261 C ALA A 17 -5.665 -11.653 5.471 1.00 0.43 C ATOM 262 O ALA A 17 -6.651 -11.530 6.171 1.00 0.21 O ATOM 263 CB ALA A 17 -3.679 -12.230 6.876 1.00 0.70 C ATOM 0 H ALA A 17 -3.019 -12.402 4.389 1.00 0.46 H new ATOM 0 HA ALA A 17 -5.121 -13.636 6.100 1.00 0.55 H new ATOM 0 HB1 ALA A 17 -4.257 -12.015 7.775 1.00 0.70 H new ATOM 0 HB2 ALA A 17 -2.937 -12.997 7.096 1.00 0.70 H new ATOM 0 HB3 ALA A 17 -3.175 -11.323 6.543 1.00 0.70 H new ATOM 269 N ALA A 18 -5.429 -10.899 4.433 1.00 0.60 N ATOM 270 CA ALA A 18 -6.403 -9.831 4.066 1.00 0.51 C ATOM 271 C ALA A 18 -7.587 -10.438 3.306 1.00 0.41 C ATOM 272 O ALA A 18 -8.411 -9.728 2.764 1.00 0.34 O ATOM 273 CB ALA A 18 -5.705 -8.799 3.181 1.00 0.61 C ATOM 0 H ALA A 18 -4.612 -10.974 3.827 1.00 0.60 H new ATOM 0 HA ALA A 18 -6.772 -9.353 4.973 1.00 0.51 H new ATOM 0 HB1 ALA A 18 -6.412 -8.015 2.909 1.00 0.61 H new ATOM 0 HB2 ALA A 18 -4.868 -8.360 3.724 1.00 0.61 H new ATOM 0 HB3 ALA A 18 -5.336 -9.284 2.277 1.00 0.61 H new ATOM 279 N GLY A 19 -7.645 -11.741 3.283 1.00 0.46 N ATOM 280 CA GLY A 19 -8.766 -12.411 2.565 1.00 0.42 C ATOM 281 C GLY A 19 -8.629 -12.205 1.055 1.00 0.48 C ATOM 282 O GLY A 19 -7.613 -12.533 0.473 1.00 0.79 O ATOM 0 H GLY A 19 -6.972 -12.366 3.726 1.00 0.46 H new ATOM 0 HA2 GLY A 19 -8.768 -13.477 2.795 1.00 0.42 H new ATOM 0 HA3 GLY A 19 -9.719 -12.009 2.909 1.00 0.42 H new ATOM 286 N ASP A 20 -9.662 -11.669 0.455 1.00 0.34 N ATOM 287 CA ASP A 20 -9.623 -11.427 -1.024 1.00 0.46 C ATOM 288 C ASP A 20 -10.040 -9.985 -1.339 1.00 0.45 C ATOM 289 O ASP A 20 -9.791 -9.489 -2.419 1.00 0.51 O ATOM 290 CB ASP A 20 -10.582 -12.396 -1.712 1.00 0.59 C ATOM 291 CG ASP A 20 -10.055 -13.825 -1.559 1.00 1.89 C ATOM 292 OD1 ASP A 20 -8.843 -13.953 -1.518 1.00 2.88 O ATOM 293 OD2 ASP A 20 -10.896 -14.707 -1.490 1.00 2.19 O ATOM 0 H ASP A 20 -10.526 -11.389 0.919 1.00 0.34 H new ATOM 0 HA ASP A 20 -8.607 -11.585 -1.387 1.00 0.46 H new ATOM 0 HB2 ASP A 20 -11.576 -12.314 -1.273 1.00 0.59 H new ATOM 0 HB3 ASP A 20 -10.678 -12.143 -2.768 1.00 0.59 H new ATOM 298 N LYS A 21 -10.664 -9.342 -0.389 1.00 0.39 N ATOM 299 CA LYS A 21 -11.099 -7.933 -0.622 1.00 0.44 C ATOM 300 C LYS A 21 -9.954 -7.132 -1.251 1.00 0.44 C ATOM 301 O LYS A 21 -8.833 -7.594 -1.310 1.00 0.47 O ATOM 302 CB LYS A 21 -11.486 -7.295 0.714 1.00 0.41 C ATOM 303 CG LYS A 21 -12.622 -8.097 1.359 1.00 0.41 C ATOM 304 CD LYS A 21 -12.473 -8.033 2.881 1.00 0.20 C ATOM 305 CE LYS A 21 -13.783 -8.473 3.538 1.00 0.51 C ATOM 306 NZ LYS A 21 -14.067 -9.903 3.228 1.00 1.58 N ATOM 0 H LYS A 21 -10.890 -9.725 0.529 1.00 0.39 H new ATOM 0 HA LYS A 21 -11.955 -7.928 -1.296 1.00 0.44 H new ATOM 0 HB2 LYS A 21 -10.623 -7.269 1.379 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -11.799 -6.263 0.558 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -13.588 -7.692 1.058 1.00 0.41 H new ATOM 0 HG3 LYS A 21 -12.591 -9.133 1.021 1.00 0.41 H new ATOM 0 HD2 LYS A 21 -11.656 -8.678 3.205 1.00 0.20 H new ATOM 0 HD3 LYS A 21 -12.221 -7.019 3.191 1.00 0.20 H new ATOM 0 HE2 LYS A 21 -13.720 -8.334 4.617 1.00 0.51 H new ATOM 0 HE3 LYS A 21 -14.603 -7.848 3.183 1.00 0.51 H new ATOM 0 HZ1 LYS A 21 -14.872 -10.229 3.800 1.00 1.58 H new ATOM 0 HZ2 LYS A 21 -14.298 -10.000 2.219 1.00 1.58 H new ATOM 0 HZ3 LYS A 21 -13.230 -10.479 3.449 1.00 1.58 H new ATOM 320 N LEU A 22 -10.260 -5.948 -1.707 1.00 0.39 N ATOM 321 CA LEU A 22 -9.194 -5.108 -2.327 1.00 0.37 C ATOM 322 C LEU A 22 -8.026 -4.943 -1.349 1.00 0.31 C ATOM 323 O LEU A 22 -8.228 -4.809 -0.155 1.00 0.34 O ATOM 324 CB LEU A 22 -9.779 -3.723 -2.663 1.00 0.41 C ATOM 325 CG LEU A 22 -9.847 -3.493 -4.190 1.00 0.75 C ATOM 326 CD1 LEU A 22 -8.452 -3.652 -4.810 1.00 1.75 C ATOM 327 CD2 LEU A 22 -10.828 -4.489 -4.838 1.00 2.18 C ATOM 0 H LEU A 22 -11.190 -5.529 -1.679 1.00 0.39 H new ATOM 0 HA LEU A 22 -8.833 -5.590 -3.235 1.00 0.37 H new ATOM 0 HB2 LEU A 22 -10.778 -3.635 -2.236 1.00 0.41 H new ATOM 0 HB3 LEU A 22 -9.167 -2.947 -2.204 1.00 0.41 H new ATOM 0 HG LEU A 22 -10.204 -2.480 -4.374 1.00 0.75 H new ATOM 0 HD11 LEU A 22 -8.511 -3.488 -5.886 1.00 1.75 H new ATOM 0 HD12 LEU A 22 -7.772 -2.923 -4.369 1.00 1.75 H new ATOM 0 HD13 LEU A 22 -8.080 -4.658 -4.616 1.00 1.75 H new ATOM 0 HD21 LEU A 22 -10.866 -4.315 -5.913 1.00 2.18 H new ATOM 0 HD22 LEU A 22 -10.491 -5.508 -4.647 1.00 2.18 H new ATOM 0 HD23 LEU A 22 -11.822 -4.349 -4.413 1.00 2.18 H new ATOM 339 N VAL A 23 -6.828 -4.957 -1.880 1.00 0.25 N ATOM 340 CA VAL A 23 -5.628 -4.809 -1.005 1.00 0.21 C ATOM 341 C VAL A 23 -4.638 -3.827 -1.634 1.00 0.22 C ATOM 342 O VAL A 23 -3.923 -4.167 -2.555 1.00 0.23 O ATOM 343 CB VAL A 23 -4.968 -6.180 -0.846 1.00 0.11 C ATOM 344 CG1 VAL A 23 -4.057 -6.173 0.384 1.00 0.13 C ATOM 345 CG2 VAL A 23 -6.057 -7.239 -0.663 1.00 0.02 C ATOM 0 H VAL A 23 -6.632 -5.064 -2.875 1.00 0.25 H new ATOM 0 HA VAL A 23 -5.927 -4.424 -0.030 1.00 0.21 H new ATOM 0 HB VAL A 23 -4.375 -6.406 -1.732 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.588 -7.151 0.495 1.00 0.13 H new ATOM 0 HG12 VAL A 23 -3.286 -5.413 0.261 1.00 0.13 H new ATOM 0 HG13 VAL A 23 -4.647 -5.951 1.273 1.00 0.13 H new ATOM 0 HG21 VAL A 23 -5.595 -8.220 -0.549 1.00 0.02 H new ATOM 0 HG22 VAL A 23 -6.643 -7.008 0.227 1.00 0.02 H new ATOM 0 HG23 VAL A 23 -6.709 -7.245 -1.536 1.00 0.02 H new ATOM 355 N VAL A 24 -4.617 -2.629 -1.119 1.00 0.23 N ATOM 356 CA VAL A 24 -3.685 -1.606 -1.678 1.00 0.25 C ATOM 357 C VAL A 24 -2.406 -1.543 -0.838 1.00 0.30 C ATOM 358 O VAL A 24 -2.426 -1.836 0.341 1.00 0.61 O ATOM 359 CB VAL A 24 -4.379 -0.246 -1.660 1.00 0.26 C ATOM 360 CG1 VAL A 24 -3.436 0.808 -2.236 1.00 0.30 C ATOM 361 CG2 VAL A 24 -5.642 -0.316 -2.523 1.00 0.24 C ATOM 0 H VAL A 24 -5.199 -2.314 -0.342 1.00 0.23 H new ATOM 0 HA VAL A 24 -3.418 -1.875 -2.700 1.00 0.25 H new ATOM 0 HB VAL A 24 -4.645 0.019 -0.636 1.00 0.26 H new ATOM 0 HG11 VAL A 24 -3.928 1.781 -2.225 1.00 0.30 H new ATOM 0 HG12 VAL A 24 -2.529 0.853 -1.633 1.00 0.30 H new ATOM 0 HG13 VAL A 24 -3.178 0.544 -3.261 1.00 0.30 H new ATOM 0 HG21 VAL A 24 -6.143 0.652 -2.514 1.00 0.24 H new ATOM 0 HG22 VAL A 24 -5.370 -0.575 -3.546 1.00 0.24 H new ATOM 0 HG23 VAL A 24 -6.314 -1.075 -2.123 1.00 0.24 H new ATOM 371 N VAL A 25 -1.319 -1.160 -1.467 1.00 0.21 N ATOM 372 CA VAL A 25 -0.022 -1.071 -0.722 1.00 0.18 C ATOM 373 C VAL A 25 0.613 0.302 -0.925 1.00 0.22 C ATOM 374 O VAL A 25 0.619 0.831 -2.019 1.00 0.42 O ATOM 375 CB VAL A 25 0.950 -2.131 -1.247 1.00 0.14 C ATOM 376 CG1 VAL A 25 2.228 -2.093 -0.406 1.00 0.13 C ATOM 377 CG2 VAL A 25 0.328 -3.526 -1.147 1.00 0.14 C ATOM 0 H VAL A 25 -1.273 -0.908 -2.454 1.00 0.21 H new ATOM 0 HA VAL A 25 -0.224 -1.232 0.337 1.00 0.18 H new ATOM 0 HB VAL A 25 1.175 -1.919 -2.292 1.00 0.14 H new ATOM 0 HG11 VAL A 25 2.927 -2.845 -0.772 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.684 -1.106 -0.482 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.984 -2.301 0.636 1.00 0.13 H new ATOM 0 HG21 VAL A 25 1.033 -4.267 -1.525 1.00 0.14 H new ATOM 0 HG22 VAL A 25 0.094 -3.746 -0.105 1.00 0.14 H new ATOM 0 HG23 VAL A 25 -0.586 -3.560 -1.740 1.00 0.14 H new ATOM 387 N ASP A 26 1.139 0.851 0.141 1.00 0.10 N ATOM 388 CA ASP A 26 1.803 2.183 0.031 1.00 0.10 C ATOM 389 C ASP A 26 3.323 2.008 0.061 1.00 0.13 C ATOM 390 O ASP A 26 3.931 2.003 1.114 1.00 0.16 O ATOM 391 CB ASP A 26 1.375 3.055 1.206 1.00 0.14 C ATOM 392 CG ASP A 26 2.009 4.441 1.066 1.00 0.17 C ATOM 393 OD1 ASP A 26 1.818 5.019 0.008 1.00 1.32 O ATOM 394 OD2 ASP A 26 2.650 4.842 2.023 1.00 1.07 O ATOM 0 H ASP A 26 1.137 0.438 1.074 1.00 0.10 H new ATOM 0 HA ASP A 26 1.512 2.655 -0.907 1.00 0.10 H new ATOM 0 HB2 ASP A 26 0.289 3.141 1.233 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.682 2.595 2.145 1.00 0.14 H new ATOM 399 N PHE A 27 3.901 1.857 -1.094 1.00 0.14 N ATOM 400 CA PHE A 27 5.380 1.688 -1.157 1.00 0.18 C ATOM 401 C PHE A 27 6.063 3.049 -1.002 1.00 0.20 C ATOM 402 O PHE A 27 6.273 3.752 -1.971 1.00 0.25 O ATOM 403 CB PHE A 27 5.745 1.082 -2.507 1.00 0.20 C ATOM 404 CG PHE A 27 5.419 -0.411 -2.502 1.00 0.19 C ATOM 405 CD1 PHE A 27 6.301 -1.321 -1.946 1.00 0.20 C ATOM 406 CD2 PHE A 27 4.236 -0.874 -3.056 1.00 0.18 C ATOM 407 CE1 PHE A 27 6.009 -2.669 -1.949 1.00 0.20 C ATOM 408 CE2 PHE A 27 3.951 -2.227 -3.056 1.00 0.18 C ATOM 409 CZ PHE A 27 4.838 -3.120 -2.504 1.00 0.20 C ATOM 0 H PHE A 27 3.419 1.843 -1.993 1.00 0.14 H new ATOM 0 HA PHE A 27 5.713 1.032 -0.352 1.00 0.18 H new ATOM 0 HB2 PHE A 27 5.194 1.583 -3.303 1.00 0.20 H new ATOM 0 HB3 PHE A 27 6.805 1.233 -2.710 1.00 0.20 H new ATOM 0 HD1 PHE A 27 7.224 -0.973 -1.507 1.00 0.20 H new ATOM 0 HD2 PHE A 27 3.535 -0.176 -3.489 1.00 0.18 H new ATOM 0 HE1 PHE A 27 6.704 -3.371 -1.513 1.00 0.20 H new ATOM 0 HE2 PHE A 27 3.029 -2.583 -3.491 1.00 0.18 H new ATOM 0 HZ PHE A 27 4.613 -4.176 -2.507 1.00 0.20 H new ATOM 419 N SER A 28 6.394 3.390 0.217 1.00 0.18 N ATOM 420 CA SER A 28 7.059 4.707 0.459 1.00 0.20 C ATOM 421 C SER A 28 8.173 4.553 1.497 1.00 0.25 C ATOM 422 O SER A 28 8.413 3.473 2.000 1.00 0.20 O ATOM 423 CB SER A 28 6.021 5.704 0.969 1.00 0.16 C ATOM 424 OG SER A 28 6.646 6.968 0.806 1.00 1.53 O ATOM 0 H SER A 28 6.235 2.821 1.048 1.00 0.18 H new ATOM 0 HA SER A 28 7.494 5.067 -0.473 1.00 0.20 H new ATOM 0 HB2 SER A 28 5.094 5.641 0.399 1.00 0.16 H new ATOM 0 HB3 SER A 28 5.767 5.516 2.012 1.00 0.16 H new ATOM 0 HG SER A 28 6.040 7.675 1.112 1.00 1.53 H new ATOM 430 N ALA A 29 8.827 5.642 1.799 1.00 0.34 N ATOM 431 CA ALA A 29 9.933 5.584 2.800 1.00 0.41 C ATOM 432 C ALA A 29 9.435 6.051 4.172 1.00 0.41 C ATOM 433 O ALA A 29 8.795 7.076 4.287 1.00 0.39 O ATOM 434 CB ALA A 29 11.069 6.493 2.338 1.00 0.44 C ATOM 0 H ALA A 29 8.646 6.563 1.400 1.00 0.34 H new ATOM 0 HA ALA A 29 10.285 4.556 2.885 1.00 0.41 H new ATOM 0 HB1 ALA A 29 11.882 6.457 3.063 1.00 0.44 H new ATOM 0 HB2 ALA A 29 11.433 6.155 1.368 1.00 0.44 H new ATOM 0 HB3 ALA A 29 10.704 7.517 2.252 1.00 0.44 H new ATOM 440 N THR A 30 9.741 5.285 5.184 1.00 0.45 N ATOM 441 CA THR A 30 9.298 5.671 6.556 1.00 0.48 C ATOM 442 C THR A 30 10.301 6.649 7.169 1.00 0.52 C ATOM 443 O THR A 30 9.930 7.581 7.855 1.00 0.55 O ATOM 444 CB THR A 30 9.206 4.412 7.426 1.00 0.55 C ATOM 445 OG1 THR A 30 8.447 4.808 8.563 1.00 0.53 O ATOM 446 CG2 THR A 30 10.572 3.998 7.975 1.00 0.58 C ATOM 0 H THR A 30 10.273 4.417 5.123 1.00 0.45 H new ATOM 0 HA THR A 30 8.322 6.153 6.502 1.00 0.48 H new ATOM 0 HB THR A 30 8.790 3.591 6.841 1.00 0.55 H new ATOM 0 HG1 THR A 30 8.345 4.045 9.170 1.00 0.53 H new ATOM 0 HG21 THR A 30 10.462 3.102 8.586 1.00 0.58 H new ATOM 0 HG22 THR A 30 11.250 3.792 7.147 1.00 0.58 H new ATOM 0 HG23 THR A 30 10.979 4.805 8.584 1.00 0.58 H new ATOM 454 N TRP A 31 11.552 6.412 6.905 1.00 0.54 N ATOM 455 CA TRP A 31 12.609 7.312 7.452 1.00 0.58 C ATOM 456 C TRP A 31 12.424 8.731 6.905 1.00 0.47 C ATOM 457 O TRP A 31 12.443 9.693 7.647 1.00 0.44 O ATOM 458 CB TRP A 31 13.966 6.778 7.011 1.00 0.69 C ATOM 459 CG TRP A 31 13.955 6.638 5.488 1.00 0.65 C ATOM 460 CD1 TRP A 31 13.480 5.574 4.846 1.00 0.65 C ATOM 461 CD2 TRP A 31 14.370 7.560 4.631 1.00 0.63 C ATOM 462 NE1 TRP A 31 13.625 5.892 3.553 1.00 0.64 N ATOM 463 CE2 TRP A 31 14.179 7.129 3.330 1.00 0.64 C ATOM 464 CE3 TRP A 31 14.919 8.818 4.854 1.00 0.63 C ATOM 465 CZ2 TRP A 31 14.525 7.935 2.272 1.00 0.66 C ATOM 466 CZ3 TRP A 31 15.265 9.620 3.787 1.00 0.63 C ATOM 467 CH2 TRP A 31 15.068 9.179 2.498 1.00 0.66 C ATOM 0 H TRP A 31 11.892 5.637 6.336 1.00 0.54 H new ATOM 0 HA TRP A 31 12.543 7.341 8.540 1.00 0.58 H new ATOM 0 HB2 TRP A 31 14.761 7.455 7.324 1.00 0.69 H new ATOM 0 HB3 TRP A 31 14.165 5.814 7.480 1.00 0.69 H new ATOM 0 HD1 TRP A 31 13.073 4.667 5.268 1.00 0.65 H new ATOM 0 HE1 TRP A 31 13.347 5.267 2.796 1.00 0.64 H new ATOM 0 HE3 TRP A 31 15.075 9.167 5.864 1.00 0.63 H new ATOM 0 HZ2 TRP A 31 14.370 7.591 1.260 1.00 0.66 H new ATOM 0 HZ3 TRP A 31 15.692 10.596 3.963 1.00 0.63 H new ATOM 0 HH2 TRP A 31 15.340 9.809 1.664 1.00 0.66 H new ATOM 478 N CYS A 32 12.249 8.827 5.615 1.00 0.42 N ATOM 479 CA CYS A 32 12.073 10.172 4.996 1.00 0.34 C ATOM 480 C CYS A 32 10.985 10.959 5.735 1.00 0.24 C ATOM 481 O CYS A 32 10.151 10.387 6.409 1.00 0.30 O ATOM 482 CB CYS A 32 11.677 10.001 3.533 1.00 0.32 C ATOM 483 SG CYS A 32 11.082 11.471 2.659 1.00 0.51 S ATOM 0 H CYS A 32 12.220 8.040 4.967 1.00 0.42 H new ATOM 0 HA CYS A 32 13.011 10.723 5.064 1.00 0.34 H new ATOM 0 HB2 CYS A 32 12.540 9.613 2.993 1.00 0.32 H new ATOM 0 HB3 CYS A 32 10.899 9.239 3.480 1.00 0.32 H new ATOM 0 HG CYS A 32 10.292 11.111 1.691 1.00 0.51 H new ATOM 489 N GLY A 33 11.020 12.256 5.591 1.00 0.11 N ATOM 490 CA GLY A 33 10.003 13.102 6.282 1.00 0.15 C ATOM 491 C GLY A 33 8.859 13.497 5.329 1.00 0.13 C ATOM 492 O GLY A 33 7.741 13.052 5.486 1.00 0.08 O ATOM 0 H GLY A 33 11.703 12.764 5.029 1.00 0.11 H new ATOM 0 HA2 GLY A 33 9.596 12.560 7.136 1.00 0.15 H new ATOM 0 HA3 GLY A 33 10.480 14.001 6.673 1.00 0.15 H new ATOM 496 N PRO A 34 9.172 14.328 4.352 1.00 0.27 N ATOM 497 CA PRO A 34 8.170 14.798 3.379 1.00 0.42 C ATOM 498 C PRO A 34 7.375 13.631 2.771 1.00 0.43 C ATOM 499 O PRO A 34 6.332 13.836 2.181 1.00 0.57 O ATOM 500 CB PRO A 34 8.977 15.527 2.299 1.00 0.59 C ATOM 501 CG PRO A 34 10.440 15.653 2.821 1.00 0.52 C ATOM 502 CD PRO A 34 10.532 14.847 4.132 1.00 0.32 C ATOM 0 HA PRO A 34 7.430 15.444 3.851 1.00 0.42 H new ATOM 0 HB2 PRO A 34 8.950 14.974 1.360 1.00 0.59 H new ATOM 0 HB3 PRO A 34 8.553 16.512 2.101 1.00 0.59 H new ATOM 0 HG2 PRO A 34 11.145 15.269 2.084 1.00 0.52 H new ATOM 0 HG3 PRO A 34 10.697 16.698 2.994 1.00 0.52 H new ATOM 0 HD2 PRO A 34 11.256 14.036 4.048 1.00 0.32 H new ATOM 0 HD3 PRO A 34 10.854 15.477 4.961 1.00 0.32 H new ATOM 510 N CYS A 35 7.880 12.439 2.921 1.00 0.38 N ATOM 511 CA CYS A 35 7.147 11.262 2.357 1.00 0.43 C ATOM 512 C CYS A 35 6.180 10.700 3.402 1.00 0.24 C ATOM 513 O CYS A 35 5.145 10.160 3.065 1.00 0.15 O ATOM 514 CB CYS A 35 8.152 10.184 1.961 1.00 0.56 C ATOM 515 SG CYS A 35 9.179 10.499 0.504 1.00 0.93 S ATOM 0 H CYS A 35 8.754 12.226 3.401 1.00 0.38 H new ATOM 0 HA CYS A 35 6.581 11.577 1.480 1.00 0.43 H new ATOM 0 HB2 CYS A 35 8.814 10.013 2.810 1.00 0.56 H new ATOM 0 HB3 CYS A 35 7.603 9.257 1.793 1.00 0.56 H new ATOM 0 HG CYS A 35 9.976 9.491 0.308 1.00 0.93 H new ATOM 521 N LYS A 36 6.537 10.840 4.651 1.00 0.18 N ATOM 522 CA LYS A 36 5.648 10.319 5.725 1.00 0.09 C ATOM 523 C LYS A 36 4.676 11.411 6.182 1.00 0.23 C ATOM 524 O LYS A 36 3.592 11.123 6.650 1.00 0.36 O ATOM 525 CB LYS A 36 6.499 9.867 6.909 1.00 0.25 C ATOM 526 CG LYS A 36 5.570 9.411 8.030 1.00 0.24 C ATOM 527 CD LYS A 36 6.356 8.577 9.039 1.00 0.76 C ATOM 528 CE LYS A 36 7.617 9.340 9.449 1.00 1.24 C ATOM 529 NZ LYS A 36 8.191 8.767 10.699 1.00 1.78 N ATOM 0 H LYS A 36 7.396 11.288 4.970 1.00 0.18 H new ATOM 0 HA LYS A 36 5.076 9.476 5.338 1.00 0.09 H new ATOM 0 HB2 LYS A 36 7.160 9.053 6.611 1.00 0.25 H new ATOM 0 HB3 LYS A 36 7.134 10.684 7.252 1.00 0.25 H new ATOM 0 HG2 LYS A 36 5.128 10.276 8.524 1.00 0.24 H new ATOM 0 HG3 LYS A 36 4.749 8.824 7.619 1.00 0.24 H new ATOM 0 HD2 LYS A 36 5.741 8.370 9.915 1.00 0.76 H new ATOM 0 HD3 LYS A 36 6.624 7.615 8.603 1.00 0.76 H new ATOM 0 HE2 LYS A 36 8.355 9.292 8.648 1.00 1.24 H new ATOM 0 HE3 LYS A 36 7.379 10.393 9.601 1.00 1.24 H new ATOM 0 HZ1 LYS A 36 9.046 9.297 10.963 1.00 1.78 H new ATOM 0 HZ2 LYS A 36 7.491 8.835 11.465 1.00 1.78 H new ATOM 0 HZ3 LYS A 36 8.437 7.769 10.542 1.00 1.78 H new ATOM 543 N MET A 37 5.087 12.643 6.037 1.00 0.75 N ATOM 544 CA MET A 37 4.198 13.766 6.454 1.00 0.98 C ATOM 545 C MET A 37 2.773 13.510 5.962 1.00 1.10 C ATOM 546 O MET A 37 1.812 13.892 6.599 1.00 1.38 O ATOM 547 CB MET A 37 4.724 15.068 5.850 1.00 1.03 C ATOM 548 CG MET A 37 3.839 16.231 6.307 1.00 0.95 C ATOM 549 SD MET A 37 2.197 16.372 5.556 1.00 2.20 S ATOM 550 CE MET A 37 1.536 17.616 6.690 1.00 2.86 C ATOM 0 H MET A 37 5.990 12.918 5.652 1.00 0.75 H new ATOM 0 HA MET A 37 4.189 13.841 7.541 1.00 0.98 H new ATOM 0 HB2 MET A 37 5.755 15.236 6.161 1.00 1.03 H new ATOM 0 HB3 MET A 37 4.726 15.003 4.762 1.00 1.03 H new ATOM 0 HG2 MET A 37 3.710 16.153 7.387 1.00 0.95 H new ATOM 0 HG3 MET A 37 4.378 17.159 6.117 1.00 0.95 H new ATOM 0 HE1 MET A 37 0.511 17.858 6.408 1.00 2.86 H new ATOM 0 HE2 MET A 37 1.549 17.225 7.707 1.00 2.86 H new ATOM 0 HE3 MET A 37 2.148 18.516 6.640 1.00 2.86 H new ATOM 560 N ILE A 38 2.671 12.866 4.833 1.00 0.93 N ATOM 561 CA ILE A 38 1.323 12.564 4.277 1.00 1.05 C ATOM 562 C ILE A 38 0.791 11.272 4.912 1.00 0.98 C ATOM 563 O ILE A 38 0.304 10.389 4.237 1.00 0.90 O ATOM 564 CB ILE A 38 1.437 12.404 2.752 1.00 1.07 C ATOM 565 CG1 ILE A 38 2.128 13.652 2.162 1.00 1.19 C ATOM 566 CG2 ILE A 38 0.037 12.267 2.147 1.00 1.38 C ATOM 567 CD1 ILE A 38 2.450 13.423 0.676 1.00 0.53 C ATOM 0 H ILE A 38 3.458 12.537 4.274 1.00 0.93 H new ATOM 0 HA ILE A 38 0.631 13.376 4.501 1.00 1.05 H new ATOM 0 HB ILE A 38 2.022 11.514 2.520 1.00 1.07 H new ATOM 0 HG12 ILE A 38 1.481 14.522 2.272 1.00 1.19 H new ATOM 0 HG13 ILE A 38 3.044 13.865 2.712 1.00 1.19 H new ATOM 0 HG21 ILE A 38 0.117 12.154 1.066 1.00 1.38 H new ATOM 0 HG22 ILE A 38 -0.457 11.391 2.568 1.00 1.38 H new ATOM 0 HG23 ILE A 38 -0.547 13.158 2.376 1.00 1.38 H new ATOM 0 HD11 ILE A 38 2.937 14.309 0.269 1.00 0.53 H new ATOM 0 HD12 ILE A 38 3.115 12.565 0.576 1.00 0.53 H new ATOM 0 HD13 ILE A 38 1.527 13.233 0.129 1.00 0.53 H new ATOM 579 N LYS A 39 0.914 11.196 6.206 1.00 1.28 N ATOM 580 CA LYS A 39 0.430 9.984 6.929 1.00 1.23 C ATOM 581 C LYS A 39 -1.072 10.090 7.267 1.00 0.98 C ATOM 582 O LYS A 39 -1.821 9.169 7.014 1.00 0.78 O ATOM 583 CB LYS A 39 1.234 9.799 8.221 1.00 1.51 C ATOM 584 CG LYS A 39 1.892 8.420 8.212 1.00 1.15 C ATOM 585 CD LYS A 39 2.716 8.243 9.491 1.00 1.40 C ATOM 586 CE LYS A 39 3.379 6.862 9.474 1.00 1.18 C ATOM 587 NZ LYS A 39 3.884 6.507 10.831 1.00 1.38 N ATOM 0 H LYS A 39 1.328 11.918 6.796 1.00 1.28 H new ATOM 0 HA LYS A 39 0.571 9.123 6.275 1.00 1.23 H new ATOM 0 HB2 LYS A 39 1.993 10.577 8.305 1.00 1.51 H new ATOM 0 HB3 LYS A 39 0.580 9.897 9.087 1.00 1.51 H new ATOM 0 HG2 LYS A 39 1.131 7.642 8.145 1.00 1.15 H new ATOM 0 HG3 LYS A 39 2.532 8.316 7.336 1.00 1.15 H new ATOM 0 HD2 LYS A 39 3.474 9.023 9.561 1.00 1.40 H new ATOM 0 HD3 LYS A 39 2.076 8.342 10.367 1.00 1.40 H new ATOM 0 HE2 LYS A 39 2.662 6.112 9.139 1.00 1.18 H new ATOM 0 HE3 LYS A 39 4.203 6.857 8.760 1.00 1.18 H new ATOM 0 HZ1 LYS A 39 4.529 5.694 10.760 1.00 1.38 H new ATOM 0 HZ2 LYS A 39 4.393 7.319 11.235 1.00 1.38 H new ATOM 0 HZ3 LYS A 39 3.083 6.260 11.446 1.00 1.38 H new ATOM 601 N PRO A 40 -1.500 11.224 7.820 1.00 1.04 N ATOM 602 CA PRO A 40 -2.911 11.396 8.194 1.00 0.93 C ATOM 603 C PRO A 40 -3.812 11.311 6.956 1.00 0.64 C ATOM 604 O PRO A 40 -5.008 11.505 7.039 1.00 0.60 O ATOM 605 CB PRO A 40 -2.994 12.786 8.835 1.00 1.16 C ATOM 606 CG PRO A 40 -1.550 13.373 8.861 1.00 1.35 C ATOM 607 CD PRO A 40 -0.645 12.401 8.084 1.00 1.26 C ATOM 0 HA PRO A 40 -3.249 10.617 8.877 1.00 0.93 H new ATOM 0 HB2 PRO A 40 -3.661 13.433 8.265 1.00 1.16 H new ATOM 0 HB3 PRO A 40 -3.400 12.720 9.844 1.00 1.16 H new ATOM 0 HG2 PRO A 40 -1.530 14.363 8.406 1.00 1.35 H new ATOM 0 HG3 PRO A 40 -1.200 13.486 9.887 1.00 1.35 H new ATOM 0 HD2 PRO A 40 -0.288 12.848 7.156 1.00 1.26 H new ATOM 0 HD3 PRO A 40 0.236 12.129 8.666 1.00 1.26 H new ATOM 615 N PHE A 41 -3.206 11.024 5.836 1.00 0.55 N ATOM 616 CA PHE A 41 -3.989 10.908 4.577 1.00 0.29 C ATOM 617 C PHE A 41 -4.222 9.428 4.244 1.00 0.28 C ATOM 618 O PHE A 41 -5.348 8.985 4.130 1.00 0.23 O ATOM 619 CB PHE A 41 -3.193 11.568 3.457 1.00 0.44 C ATOM 620 CG PHE A 41 -3.273 13.089 3.610 1.00 0.34 C ATOM 621 CD1 PHE A 41 -2.471 13.747 4.528 1.00 0.55 C ATOM 622 CD2 PHE A 41 -4.150 13.828 2.834 1.00 0.34 C ATOM 623 CE1 PHE A 41 -2.545 15.119 4.665 1.00 0.48 C ATOM 624 CE2 PHE A 41 -4.222 15.199 2.973 1.00 0.32 C ATOM 625 CZ PHE A 41 -3.421 15.843 3.887 1.00 0.18 C ATOM 0 H PHE A 41 -2.203 10.865 5.740 1.00 0.55 H new ATOM 0 HA PHE A 41 -4.957 11.397 4.690 1.00 0.29 H new ATOM 0 HB2 PHE A 41 -2.154 11.241 3.492 1.00 0.44 H new ATOM 0 HB3 PHE A 41 -3.589 11.267 2.487 1.00 0.44 H new ATOM 0 HD1 PHE A 41 -1.783 13.183 5.141 1.00 0.55 H new ATOM 0 HD2 PHE A 41 -4.782 13.328 2.115 1.00 0.34 H new ATOM 0 HE1 PHE A 41 -1.916 15.625 5.383 1.00 0.48 H new ATOM 0 HE2 PHE A 41 -4.909 15.767 2.363 1.00 0.32 H new ATOM 0 HZ PHE A 41 -3.479 16.916 3.995 1.00 0.18 H new ATOM 635 N PHE A 42 -3.147 8.698 4.094 1.00 0.34 N ATOM 636 CA PHE A 42 -3.283 7.243 3.776 1.00 0.35 C ATOM 637 C PHE A 42 -3.458 6.435 5.061 1.00 0.34 C ATOM 638 O PHE A 42 -4.135 5.426 5.080 1.00 0.33 O ATOM 639 CB PHE A 42 -2.018 6.763 3.062 1.00 0.38 C ATOM 640 CG PHE A 42 -2.208 5.298 2.644 1.00 0.23 C ATOM 641 CD1 PHE A 42 -3.099 4.966 1.638 1.00 0.31 C ATOM 642 CD2 PHE A 42 -1.491 4.283 3.268 1.00 0.07 C ATOM 643 CE1 PHE A 42 -3.272 3.648 1.263 1.00 0.32 C ATOM 644 CE2 PHE A 42 -1.669 2.969 2.888 1.00 0.12 C ATOM 645 CZ PHE A 42 -2.557 2.652 1.888 1.00 0.26 C ATOM 0 H PHE A 42 -2.190 9.041 4.177 1.00 0.34 H new ATOM 0 HA PHE A 42 -4.156 7.101 3.138 1.00 0.35 H new ATOM 0 HB2 PHE A 42 -1.821 7.382 2.187 1.00 0.38 H new ATOM 0 HB3 PHE A 42 -1.155 6.858 3.720 1.00 0.38 H new ATOM 0 HD1 PHE A 42 -3.663 5.743 1.143 1.00 0.31 H new ATOM 0 HD2 PHE A 42 -0.791 4.525 4.054 1.00 0.07 H new ATOM 0 HE1 PHE A 42 -3.970 3.398 0.478 1.00 0.32 H new ATOM 0 HE2 PHE A 42 -1.109 2.187 3.378 1.00 0.12 H new ATOM 0 HZ PHE A 42 -2.694 1.622 1.593 1.00 0.26 H new ATOM 655 N HIS A 43 -2.841 6.899 6.108 1.00 0.36 N ATOM 656 CA HIS A 43 -2.933 6.167 7.402 1.00 0.34 C ATOM 657 C HIS A 43 -4.255 6.499 8.109 1.00 0.37 C ATOM 658 O HIS A 43 -4.604 5.889 9.100 1.00 0.47 O ATOM 659 CB HIS A 43 -1.754 6.592 8.272 1.00 0.35 C ATOM 660 CG HIS A 43 -1.543 5.586 9.404 1.00 0.34 C ATOM 661 ND1 HIS A 43 -2.401 4.771 9.813 1.00 0.34 N ATOM 662 CD2 HIS A 43 -0.419 5.357 10.179 1.00 0.36 C ATOM 663 CE1 HIS A 43 -1.944 4.056 10.759 1.00 0.34 C ATOM 664 NE2 HIS A 43 -0.682 4.361 11.061 1.00 0.36 N ATOM 0 H HIS A 43 -2.279 7.750 6.126 1.00 0.36 H new ATOM 0 HA HIS A 43 -2.904 5.092 7.225 1.00 0.34 H new ATOM 0 HB2 HIS A 43 -0.851 6.662 7.665 1.00 0.35 H new ATOM 0 HB3 HIS A 43 -1.937 7.583 8.686 1.00 0.35 H new ATOM 0 HD1 HIS A 43 -3.345 4.691 9.436 1.00 0.34 H new ATOM 0 HD2 HIS A 43 0.518 5.887 10.095 1.00 0.36 H new ATOM 0 HE1 HIS A 43 -2.514 3.288 11.261 1.00 0.34 H new ATOM 672 N SER A 44 -4.961 7.462 7.582 1.00 0.29 N ATOM 673 CA SER A 44 -6.263 7.844 8.208 1.00 0.31 C ATOM 674 C SER A 44 -7.399 7.003 7.620 1.00 0.27 C ATOM 675 O SER A 44 -8.513 7.032 8.104 1.00 0.22 O ATOM 676 CB SER A 44 -6.534 9.322 7.937 1.00 0.33 C ATOM 677 OG SER A 44 -7.914 9.482 8.231 1.00 1.37 O ATOM 0 H SER A 44 -4.698 7.997 6.754 1.00 0.29 H new ATOM 0 HA SER A 44 -6.210 7.665 9.282 1.00 0.31 H new ATOM 0 HB2 SER A 44 -5.916 9.962 8.566 1.00 0.33 H new ATOM 0 HB3 SER A 44 -6.314 9.584 6.902 1.00 0.33 H new ATOM 0 HG SER A 44 -8.276 8.638 8.572 1.00 1.37 H new ATOM 683 N LEU A 45 -7.089 6.271 6.588 1.00 0.33 N ATOM 684 CA LEU A 45 -8.135 5.417 5.953 1.00 0.31 C ATOM 685 C LEU A 45 -8.320 4.127 6.760 1.00 0.30 C ATOM 686 O LEU A 45 -9.227 3.358 6.510 1.00 0.28 O ATOM 687 CB LEU A 45 -7.697 5.072 4.532 1.00 0.29 C ATOM 688 CG LEU A 45 -7.194 6.341 3.837 1.00 0.44 C ATOM 689 CD1 LEU A 45 -6.840 6.016 2.386 1.00 0.26 C ATOM 690 CD2 LEU A 45 -8.297 7.401 3.860 1.00 0.65 C ATOM 0 H LEU A 45 -6.165 6.225 6.158 1.00 0.33 H new ATOM 0 HA LEU A 45 -9.081 5.957 5.930 1.00 0.31 H new ATOM 0 HB2 LEU A 45 -6.909 4.319 4.554 1.00 0.29 H new ATOM 0 HB3 LEU A 45 -8.531 4.645 3.975 1.00 0.29 H new ATOM 0 HG LEU A 45 -6.312 6.717 4.355 1.00 0.44 H new ATOM 0 HD11 LEU A 45 -6.482 6.917 1.888 1.00 0.26 H new ATOM 0 HD12 LEU A 45 -6.060 5.255 2.363 1.00 0.26 H new ATOM 0 HD13 LEU A 45 -7.725 5.644 1.870 1.00 0.26 H new ATOM 0 HD21 LEU A 45 -7.943 8.306 3.366 1.00 0.65 H new ATOM 0 HD22 LEU A 45 -9.176 7.023 3.338 1.00 0.65 H new ATOM 0 HD23 LEU A 45 -8.560 7.630 4.893 1.00 0.65 H new ATOM 702 N SER A 46 -7.452 3.921 7.712 1.00 0.31 N ATOM 703 CA SER A 46 -7.554 2.689 8.550 1.00 0.30 C ATOM 704 C SER A 46 -8.950 2.573 9.168 1.00 0.30 C ATOM 705 O SER A 46 -9.562 1.523 9.137 1.00 0.31 O ATOM 706 CB SER A 46 -6.523 2.766 9.674 1.00 0.32 C ATOM 707 OG SER A 46 -5.975 1.457 9.735 1.00 1.01 O ATOM 0 H SER A 46 -6.681 4.546 7.946 1.00 0.31 H new ATOM 0 HA SER A 46 -7.371 1.818 7.920 1.00 0.30 H new ATOM 0 HB2 SER A 46 -5.755 3.509 9.460 1.00 0.32 H new ATOM 0 HB3 SER A 46 -6.985 3.049 10.620 1.00 0.32 H new ATOM 0 HG SER A 46 -5.295 1.420 10.439 1.00 1.01 H new ATOM 713 N GLU A 47 -9.420 3.656 9.717 1.00 0.53 N ATOM 714 CA GLU A 47 -10.766 3.631 10.361 1.00 0.55 C ATOM 715 C GLU A 47 -11.857 4.034 9.362 1.00 0.47 C ATOM 716 O GLU A 47 -12.937 3.478 9.365 1.00 0.38 O ATOM 717 CB GLU A 47 -10.762 4.607 11.534 1.00 0.77 C ATOM 718 CG GLU A 47 -9.892 4.036 12.656 1.00 0.91 C ATOM 719 CD GLU A 47 -10.788 3.371 13.703 1.00 1.79 C ATOM 720 OE1 GLU A 47 -11.228 4.099 14.578 1.00 1.73 O ATOM 721 OE2 GLU A 47 -10.980 2.174 13.570 1.00 2.82 O ATOM 0 H GLU A 47 -8.936 4.553 9.749 1.00 0.53 H new ATOM 0 HA GLU A 47 -10.978 2.619 10.707 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -10.377 5.576 11.216 1.00 0.77 H new ATOM 0 HB3 GLU A 47 -11.779 4.769 11.892 1.00 0.77 H new ATOM 0 HG2 GLU A 47 -9.186 3.311 12.251 1.00 0.91 H new ATOM 0 HG3 GLU A 47 -9.304 4.830 13.116 1.00 0.91 H new ATOM 728 N LYS A 48 -11.555 4.990 8.530 1.00 0.54 N ATOM 729 CA LYS A 48 -12.574 5.440 7.536 1.00 0.55 C ATOM 730 C LYS A 48 -12.998 4.275 6.631 1.00 0.43 C ATOM 731 O LYS A 48 -14.128 3.833 6.676 1.00 0.37 O ATOM 732 CB LYS A 48 -11.983 6.560 6.686 1.00 0.72 C ATOM 733 CG LYS A 48 -13.098 7.535 6.297 1.00 0.81 C ATOM 734 CD LYS A 48 -13.241 8.603 7.387 1.00 1.71 C ATOM 735 CE LYS A 48 -14.363 9.571 7.000 1.00 1.83 C ATOM 736 NZ LYS A 48 -13.857 10.603 6.054 1.00 1.81 N ATOM 0 H LYS A 48 -10.659 5.476 8.493 1.00 0.54 H new ATOM 0 HA LYS A 48 -13.453 5.801 8.069 1.00 0.55 H new ATOM 0 HB2 LYS A 48 -11.204 7.082 7.241 1.00 0.72 H new ATOM 0 HB3 LYS A 48 -11.516 6.147 5.792 1.00 0.72 H new ATOM 0 HG2 LYS A 48 -12.869 8.004 5.340 1.00 0.81 H new ATOM 0 HG3 LYS A 48 -14.039 6.999 6.172 1.00 0.81 H new ATOM 0 HD2 LYS A 48 -13.464 8.134 8.345 1.00 1.71 H new ATOM 0 HD3 LYS A 48 -12.303 9.145 7.508 1.00 1.71 H new ATOM 0 HE2 LYS A 48 -15.185 9.020 6.542 1.00 1.83 H new ATOM 0 HE3 LYS A 48 -14.761 10.052 7.894 1.00 1.83 H new ATOM 0 HZ1 LYS A 48 -14.630 11.251 5.802 1.00 1.81 H new ATOM 0 HZ2 LYS A 48 -13.088 11.140 6.504 1.00 1.81 H new ATOM 0 HZ3 LYS A 48 -13.499 10.140 5.194 1.00 1.81 H new ATOM 750 N TYR A 49 -12.082 3.803 5.830 1.00 0.43 N ATOM 751 CA TYR A 49 -12.423 2.673 4.913 1.00 0.43 C ATOM 752 C TYR A 49 -12.234 1.329 5.624 1.00 0.26 C ATOM 753 O TYR A 49 -11.133 0.827 5.726 1.00 0.23 O ATOM 754 CB TYR A 49 -11.512 2.733 3.688 1.00 0.56 C ATOM 755 CG TYR A 49 -12.143 3.642 2.631 1.00 0.59 C ATOM 756 CD1 TYR A 49 -13.163 3.180 1.826 1.00 0.59 C ATOM 757 CD2 TYR A 49 -11.698 4.939 2.469 1.00 0.61 C ATOM 758 CE1 TYR A 49 -13.731 4.002 0.873 1.00 0.62 C ATOM 759 CE2 TYR A 49 -12.265 5.760 1.517 1.00 0.64 C ATOM 760 CZ TYR A 49 -13.286 5.298 0.712 1.00 0.64 C ATOM 761 OH TYR A 49 -13.853 6.119 -0.242 1.00 0.67 O ATOM 0 H TYR A 49 -11.123 4.144 5.769 1.00 0.43 H new ATOM 0 HA TYR A 49 -13.466 2.763 4.610 1.00 0.43 H new ATOM 0 HB2 TYR A 49 -10.529 3.112 3.970 1.00 0.56 H new ATOM 0 HB3 TYR A 49 -11.364 1.732 3.282 1.00 0.56 H new ATOM 0 HD1 TYR A 49 -13.520 2.167 1.942 1.00 0.59 H new ATOM 0 HD2 TYR A 49 -10.900 5.313 3.093 1.00 0.61 H new ATOM 0 HE1 TYR A 49 -14.529 3.628 0.249 1.00 0.62 H new ATOM 0 HE2 TYR A 49 -11.907 6.772 1.401 1.00 0.64 H new ATOM 0 HH TYR A 49 -13.419 6.997 -0.217 1.00 0.67 H new ATOM 771 N SER A 50 -13.316 0.775 6.099 1.00 0.29 N ATOM 772 CA SER A 50 -13.220 -0.539 6.801 1.00 0.40 C ATOM 773 C SER A 50 -13.514 -1.680 5.821 1.00 0.60 C ATOM 774 O SER A 50 -13.369 -2.840 6.153 1.00 0.75 O ATOM 775 CB SER A 50 -14.234 -0.570 7.943 1.00 0.42 C ATOM 776 OG SER A 50 -15.493 -0.470 7.295 1.00 0.50 O ATOM 0 H SER A 50 -14.254 1.170 6.033 1.00 0.29 H new ATOM 0 HA SER A 50 -12.213 -0.665 7.198 1.00 0.40 H new ATOM 0 HB2 SER A 50 -14.155 -1.491 8.520 1.00 0.42 H new ATOM 0 HB3 SER A 50 -14.077 0.255 8.637 1.00 0.42 H new ATOM 0 HG SER A 50 -16.208 -0.485 7.965 1.00 0.50 H new ATOM 782 N ASN A 51 -13.921 -1.323 4.635 1.00 0.66 N ATOM 783 CA ASN A 51 -14.231 -2.370 3.617 1.00 0.88 C ATOM 784 C ASN A 51 -13.029 -2.575 2.691 1.00 0.89 C ATOM 785 O ASN A 51 -13.132 -3.223 1.667 1.00 1.17 O ATOM 786 CB ASN A 51 -15.437 -1.921 2.792 1.00 1.01 C ATOM 787 CG ASN A 51 -15.929 -3.090 1.936 1.00 1.26 C ATOM 788 OD1 ASN A 51 -15.914 -3.037 0.722 1.00 2.43 O ATOM 789 ND2 ASN A 51 -16.376 -4.165 2.528 1.00 0.43 N ATOM 0 H ASN A 51 -14.052 -0.360 4.326 1.00 0.66 H new ATOM 0 HA ASN A 51 -14.453 -3.310 4.122 1.00 0.88 H new ATOM 0 HB2 ASN A 51 -16.235 -1.577 3.450 1.00 1.01 H new ATOM 0 HB3 ASN A 51 -15.164 -1.079 2.156 1.00 1.01 H new ATOM 0 HD21 ASN A 51 -16.709 -4.952 1.972 1.00 0.43 H new ATOM 0 HD22 ASN A 51 -16.392 -4.217 3.547 1.00 0.43 H new ATOM 796 N VAL A 52 -11.913 -2.016 3.073 1.00 0.59 N ATOM 797 CA VAL A 52 -10.690 -2.162 2.230 1.00 0.57 C ATOM 798 C VAL A 52 -9.459 -2.338 3.119 1.00 0.55 C ATOM 799 O VAL A 52 -9.402 -1.809 4.212 1.00 0.57 O ATOM 800 CB VAL A 52 -10.523 -0.907 1.378 1.00 0.57 C ATOM 801 CG1 VAL A 52 -9.751 -1.263 0.106 1.00 0.80 C ATOM 802 CG2 VAL A 52 -11.902 -0.368 0.994 1.00 0.66 C ATOM 0 H VAL A 52 -11.794 -1.468 3.925 1.00 0.59 H new ATOM 0 HA VAL A 52 -10.794 -3.038 1.590 1.00 0.57 H new ATOM 0 HB VAL A 52 -9.978 -0.150 1.942 1.00 0.57 H new ATOM 0 HG11 VAL A 52 -9.628 -0.370 -0.507 1.00 0.80 H new ATOM 0 HG12 VAL A 52 -8.771 -1.657 0.374 1.00 0.80 H new ATOM 0 HG13 VAL A 52 -10.303 -2.016 -0.456 1.00 0.80 H new ATOM 0 HG21 VAL A 52 -11.786 0.529 0.385 1.00 0.66 H new ATOM 0 HG22 VAL A 52 -12.443 -1.125 0.426 1.00 0.66 H new ATOM 0 HG23 VAL A 52 -12.461 -0.123 1.897 1.00 0.66 H new ATOM 812 N ILE A 53 -8.497 -3.075 2.631 1.00 0.52 N ATOM 813 CA ILE A 53 -7.260 -3.297 3.437 1.00 0.50 C ATOM 814 C ILE A 53 -6.140 -2.375 2.941 1.00 0.48 C ATOM 815 O ILE A 53 -6.060 -2.070 1.767 1.00 0.53 O ATOM 816 CB ILE A 53 -6.824 -4.762 3.291 1.00 0.49 C ATOM 817 CG1 ILE A 53 -8.017 -5.690 3.600 1.00 0.71 C ATOM 818 CG2 ILE A 53 -5.660 -5.059 4.252 1.00 0.35 C ATOM 819 CD1 ILE A 53 -8.631 -5.328 4.962 1.00 1.51 C ATOM 0 H ILE A 53 -8.512 -3.529 1.718 1.00 0.52 H new ATOM 0 HA ILE A 53 -7.463 -3.074 4.484 1.00 0.50 H new ATOM 0 HB ILE A 53 -6.490 -4.939 2.269 1.00 0.49 H new ATOM 0 HG12 ILE A 53 -8.770 -5.599 2.817 1.00 0.71 H new ATOM 0 HG13 ILE A 53 -7.687 -6.729 3.606 1.00 0.71 H new ATOM 0 HG21 ILE A 53 -5.355 -6.100 4.144 1.00 0.35 H new ATOM 0 HG22 ILE A 53 -4.818 -4.408 4.016 1.00 0.35 H new ATOM 0 HG23 ILE A 53 -5.981 -4.880 5.278 1.00 0.35 H new ATOM 0 HD11 ILE A 53 -9.472 -5.990 5.169 1.00 1.51 H new ATOM 0 HD12 ILE A 53 -7.879 -5.442 5.742 1.00 1.51 H new ATOM 0 HD13 ILE A 53 -8.978 -4.295 4.942 1.00 1.51 H new ATOM 831 N PHE A 54 -5.301 -1.954 3.854 1.00 0.41 N ATOM 832 CA PHE A 54 -4.179 -1.043 3.469 1.00 0.39 C ATOM 833 C PHE A 54 -2.861 -1.538 4.067 1.00 0.35 C ATOM 834 O PHE A 54 -2.778 -1.803 5.248 1.00 0.39 O ATOM 835 CB PHE A 54 -4.468 0.358 4.008 1.00 0.42 C ATOM 836 CG PHE A 54 -5.818 0.839 3.485 1.00 0.34 C ATOM 837 CD1 PHE A 54 -5.914 1.496 2.270 1.00 0.33 C ATOM 838 CD2 PHE A 54 -6.963 0.624 4.224 1.00 0.31 C ATOM 839 CE1 PHE A 54 -7.138 1.929 1.805 1.00 0.28 C ATOM 840 CE2 PHE A 54 -8.188 1.057 3.757 1.00 0.26 C ATOM 841 CZ PHE A 54 -8.273 1.710 2.550 1.00 0.24 C ATOM 0 H PHE A 54 -5.343 -2.199 4.843 1.00 0.41 H new ATOM 0 HA PHE A 54 -4.095 -1.025 2.382 1.00 0.39 H new ATOM 0 HB2 PHE A 54 -4.472 0.346 5.098 1.00 0.42 H new ATOM 0 HB3 PHE A 54 -3.681 1.047 3.700 1.00 0.42 H new ATOM 0 HD1 PHE A 54 -5.025 1.670 1.683 1.00 0.33 H new ATOM 0 HD2 PHE A 54 -6.901 0.114 5.174 1.00 0.31 H new ATOM 0 HE1 PHE A 54 -7.205 2.440 0.856 1.00 0.28 H new ATOM 0 HE2 PHE A 54 -9.080 0.883 4.340 1.00 0.26 H new ATOM 0 HZ PHE A 54 -9.231 2.051 2.187 1.00 0.24 H new ATOM 851 N LEU A 55 -1.864 -1.669 3.233 1.00 0.32 N ATOM 852 CA LEU A 55 -0.532 -2.120 3.733 1.00 0.29 C ATOM 853 C LEU A 55 0.443 -0.939 3.699 1.00 0.14 C ATOM 854 O LEU A 55 0.119 0.128 3.209 1.00 0.19 O ATOM 855 CB LEU A 55 0.014 -3.233 2.840 1.00 0.39 C ATOM 856 CG LEU A 55 -0.717 -4.555 3.118 1.00 0.38 C ATOM 857 CD1 LEU A 55 -2.206 -4.403 2.815 1.00 0.69 C ATOM 858 CD2 LEU A 55 -0.141 -5.637 2.205 1.00 0.53 C ATOM 0 H LEU A 55 -1.913 -1.484 2.231 1.00 0.32 H new ATOM 0 HA LEU A 55 -0.642 -2.493 4.751 1.00 0.29 H new ATOM 0 HB2 LEU A 55 -0.106 -2.958 1.792 1.00 0.39 H new ATOM 0 HB3 LEU A 55 1.082 -3.358 3.017 1.00 0.39 H new ATOM 0 HG LEU A 55 -0.586 -4.826 4.166 1.00 0.38 H new ATOM 0 HD11 LEU A 55 -2.716 -5.345 3.015 1.00 0.69 H new ATOM 0 HD12 LEU A 55 -2.628 -3.621 3.446 1.00 0.69 H new ATOM 0 HD13 LEU A 55 -2.338 -4.134 1.767 1.00 0.69 H new ATOM 0 HD21 LEU A 55 -0.652 -6.581 2.393 1.00 0.53 H new ATOM 0 HD22 LEU A 55 -0.283 -5.348 1.164 1.00 0.53 H new ATOM 0 HD23 LEU A 55 0.924 -5.754 2.407 1.00 0.53 H new ATOM 870 N GLU A 56 1.617 -1.163 4.193 1.00 0.34 N ATOM 871 CA GLU A 56 2.630 -0.066 4.210 1.00 0.22 C ATOM 872 C GLU A 56 4.038 -0.661 4.116 1.00 0.23 C ATOM 873 O GLU A 56 4.538 -1.216 5.075 1.00 0.24 O ATOM 874 CB GLU A 56 2.495 0.716 5.517 1.00 0.27 C ATOM 875 CG GLU A 56 2.321 2.202 5.199 1.00 0.88 C ATOM 876 CD GLU A 56 2.313 3.000 6.503 1.00 1.18 C ATOM 877 OE1 GLU A 56 3.389 3.140 7.058 1.00 0.65 O ATOM 878 OE2 GLU A 56 1.230 3.425 6.872 1.00 2.30 O ATOM 0 H GLU A 56 1.927 -2.051 4.587 1.00 0.34 H new ATOM 0 HA GLU A 56 2.464 0.598 3.361 1.00 0.22 H new ATOM 0 HB2 GLU A 56 1.640 0.351 6.086 1.00 0.27 H new ATOM 0 HB3 GLU A 56 3.378 0.566 6.137 1.00 0.27 H new ATOM 0 HG2 GLU A 56 3.130 2.545 4.554 1.00 0.88 H new ATOM 0 HG3 GLU A 56 1.390 2.363 4.655 1.00 0.88 H new ATOM 885 N VAL A 57 4.649 -0.531 2.967 1.00 0.23 N ATOM 886 CA VAL A 57 6.022 -1.103 2.802 1.00 0.24 C ATOM 887 C VAL A 57 7.086 -0.015 2.932 1.00 0.24 C ATOM 888 O VAL A 57 6.974 1.047 2.347 1.00 0.29 O ATOM 889 CB VAL A 57 6.141 -1.748 1.426 1.00 0.25 C ATOM 890 CG1 VAL A 57 7.612 -2.096 1.168 1.00 0.36 C ATOM 891 CG2 VAL A 57 5.304 -3.027 1.394 1.00 0.30 C ATOM 0 H VAL A 57 4.266 -0.062 2.147 1.00 0.23 H new ATOM 0 HA VAL A 57 6.180 -1.846 3.584 1.00 0.24 H new ATOM 0 HB VAL A 57 5.783 -1.060 0.660 1.00 0.25 H new ATOM 0 HG11 VAL A 57 7.710 -2.558 0.186 1.00 0.36 H new ATOM 0 HG12 VAL A 57 8.212 -1.187 1.202 1.00 0.36 H new ATOM 0 HG13 VAL A 57 7.961 -2.790 1.932 1.00 0.36 H new ATOM 0 HG21 VAL A 57 5.387 -3.491 0.411 1.00 0.30 H new ATOM 0 HG22 VAL A 57 5.667 -3.719 2.154 1.00 0.30 H new ATOM 0 HG23 VAL A 57 4.260 -2.784 1.594 1.00 0.30 H new ATOM 901 N ASP A 58 8.099 -0.307 3.699 1.00 0.19 N ATOM 902 CA ASP A 58 9.199 0.678 3.875 1.00 0.20 C ATOM 903 C ASP A 58 10.358 0.321 2.940 1.00 0.16 C ATOM 904 O ASP A 58 10.934 -0.743 3.047 1.00 0.18 O ATOM 905 CB ASP A 58 9.677 0.632 5.323 1.00 0.21 C ATOM 906 CG ASP A 58 10.663 1.777 5.568 1.00 0.24 C ATOM 907 OD1 ASP A 58 10.675 2.667 4.735 1.00 1.24 O ATOM 908 OD2 ASP A 58 11.347 1.696 6.575 1.00 0.75 O ATOM 0 H ASP A 58 8.212 -1.183 4.210 1.00 0.19 H new ATOM 0 HA ASP A 58 8.841 1.680 3.637 1.00 0.20 H new ATOM 0 HB2 ASP A 58 8.828 0.717 6.001 1.00 0.21 H new ATOM 0 HB3 ASP A 58 10.155 -0.325 5.530 1.00 0.21 H new ATOM 913 N VAL A 59 10.672 1.211 2.042 1.00 0.15 N ATOM 914 CA VAL A 59 11.788 0.927 1.093 1.00 0.14 C ATOM 915 C VAL A 59 13.141 1.050 1.804 1.00 0.09 C ATOM 916 O VAL A 59 14.103 1.520 1.229 1.00 0.30 O ATOM 917 CB VAL A 59 11.730 1.922 -0.062 1.00 0.18 C ATOM 918 CG1 VAL A 59 10.500 1.625 -0.923 1.00 0.32 C ATOM 919 CG2 VAL A 59 11.619 3.340 0.500 1.00 0.10 C ATOM 0 H VAL A 59 10.212 2.113 1.923 1.00 0.15 H new ATOM 0 HA VAL A 59 11.682 -0.090 0.715 1.00 0.14 H new ATOM 0 HB VAL A 59 12.632 1.835 -0.667 1.00 0.18 H new ATOM 0 HG11 VAL A 59 10.455 2.334 -1.750 1.00 0.32 H new ATOM 0 HG12 VAL A 59 10.568 0.611 -1.318 1.00 0.32 H new ATOM 0 HG13 VAL A 59 9.600 1.718 -0.316 1.00 0.32 H new ATOM 0 HG21 VAL A 59 11.577 4.055 -0.322 1.00 0.10 H new ATOM 0 HG22 VAL A 59 10.713 3.424 1.100 1.00 0.10 H new ATOM 0 HG23 VAL A 59 12.488 3.554 1.123 1.00 0.10 H new ATOM 929 N ASP A 60 13.181 0.627 3.042 1.00 0.25 N ATOM 930 CA ASP A 60 14.461 0.706 3.812 1.00 0.26 C ATOM 931 C ASP A 60 14.704 -0.610 4.555 1.00 0.30 C ATOM 932 O ASP A 60 15.750 -1.216 4.427 1.00 0.47 O ATOM 933 CB ASP A 60 14.368 1.850 4.820 1.00 0.19 C ATOM 934 CG ASP A 60 15.778 2.323 5.183 1.00 0.36 C ATOM 935 OD1 ASP A 60 16.658 1.480 5.142 1.00 1.39 O ATOM 936 OD2 ASP A 60 15.894 3.500 5.480 1.00 1.46 O ATOM 0 H ASP A 60 12.389 0.233 3.551 1.00 0.25 H new ATOM 0 HA ASP A 60 15.288 0.885 3.124 1.00 0.26 H new ATOM 0 HB2 ASP A 60 13.793 2.675 4.399 1.00 0.19 H new ATOM 0 HB3 ASP A 60 13.842 1.519 5.715 1.00 0.19 H new ATOM 941 N ASP A 61 13.728 -1.024 5.316 1.00 0.28 N ATOM 942 CA ASP A 61 13.876 -2.302 6.073 1.00 0.49 C ATOM 943 C ASP A 61 13.197 -3.445 5.311 1.00 0.56 C ATOM 944 O ASP A 61 13.085 -4.549 5.808 1.00 1.05 O ATOM 945 CB ASP A 61 13.224 -2.146 7.447 1.00 0.57 C ATOM 946 CG ASP A 61 13.292 -3.480 8.194 1.00 0.75 C ATOM 947 OD1 ASP A 61 14.408 -3.888 8.472 1.00 1.09 O ATOM 948 OD2 ASP A 61 12.226 -4.016 8.444 1.00 1.97 O ATOM 0 H ASP A 61 12.841 -0.538 5.447 1.00 0.28 H new ATOM 0 HA ASP A 61 14.935 -2.534 6.188 1.00 0.49 H new ATOM 0 HB2 ASP A 61 13.734 -1.370 8.018 1.00 0.57 H new ATOM 0 HB3 ASP A 61 12.187 -1.831 7.336 1.00 0.57 H new ATOM 953 N CYS A 62 12.758 -3.155 4.116 1.00 0.14 N ATOM 954 CA CYS A 62 12.081 -4.211 3.306 1.00 0.18 C ATOM 955 C CYS A 62 12.406 -4.023 1.820 1.00 0.19 C ATOM 956 O CYS A 62 11.600 -4.326 0.962 1.00 0.29 O ATOM 957 CB CYS A 62 10.572 -4.109 3.518 1.00 0.19 C ATOM 958 SG CYS A 62 9.999 -3.248 5.005 1.00 0.34 S ATOM 0 H CYS A 62 12.837 -2.242 3.668 1.00 0.14 H new ATOM 0 HA CYS A 62 12.434 -5.193 3.622 1.00 0.18 H new ATOM 0 HB2 CYS A 62 10.143 -3.607 2.651 1.00 0.19 H new ATOM 0 HB3 CYS A 62 10.165 -5.120 3.535 1.00 0.19 H new ATOM 0 HG CYS A 62 8.699 -3.248 5.033 1.00 0.34 H new ATOM 964 N GLN A 63 13.583 -3.530 1.549 1.00 0.14 N ATOM 965 CA GLN A 63 13.977 -3.314 0.131 1.00 0.13 C ATOM 966 C GLN A 63 13.768 -4.596 -0.676 1.00 0.17 C ATOM 967 O GLN A 63 13.779 -4.579 -1.890 1.00 0.19 O ATOM 968 CB GLN A 63 15.449 -2.907 0.075 1.00 0.12 C ATOM 969 CG GLN A 63 15.651 -1.639 0.906 1.00 0.76 C ATOM 970 CD GLN A 63 17.144 -1.311 0.974 1.00 0.99 C ATOM 971 OE1 GLN A 63 17.577 -0.249 0.569 1.00 2.02 O ATOM 972 NE2 GLN A 63 17.964 -2.192 1.478 1.00 0.97 N ATOM 0 H GLN A 63 14.283 -3.269 2.243 1.00 0.14 H new ATOM 0 HA GLN A 63 13.359 -2.525 -0.297 1.00 0.13 H new ATOM 0 HB2 GLN A 63 16.076 -3.712 0.459 1.00 0.12 H new ATOM 0 HB3 GLN A 63 15.751 -2.732 -0.957 1.00 0.12 H new ATOM 0 HG2 GLN A 63 15.104 -0.808 0.461 1.00 0.76 H new ATOM 0 HG3 GLN A 63 15.252 -1.781 1.910 1.00 0.76 H new ATOM 0 HE21 GLN A 63 17.607 -3.084 1.819 1.00 0.97 H new ATOM 0 HE22 GLN A 63 18.962 -1.988 1.531 1.00 0.97 H new ATOM 981 N ASP A 64 13.584 -5.682 0.020 1.00 0.20 N ATOM 982 CA ASP A 64 13.371 -6.973 -0.685 1.00 0.24 C ATOM 983 C ASP A 64 12.003 -6.981 -1.363 1.00 0.24 C ATOM 984 O ASP A 64 11.849 -7.478 -2.461 1.00 0.36 O ATOM 985 CB ASP A 64 13.455 -8.120 0.322 1.00 0.26 C ATOM 986 CG ASP A 64 12.874 -7.667 1.663 1.00 0.42 C ATOM 987 OD1 ASP A 64 12.049 -6.771 1.620 1.00 0.91 O ATOM 988 OD2 ASP A 64 13.289 -8.243 2.655 1.00 1.18 O ATOM 0 H ASP A 64 13.572 -5.731 1.039 1.00 0.20 H new ATOM 0 HA ASP A 64 14.141 -7.098 -1.446 1.00 0.24 H new ATOM 0 HB2 ASP A 64 12.906 -8.985 -0.050 1.00 0.26 H new ATOM 0 HB3 ASP A 64 14.492 -8.431 0.449 1.00 0.26 H new ATOM 993 N VAL A 65 11.044 -6.427 -0.691 1.00 0.17 N ATOM 994 CA VAL A 65 9.677 -6.378 -1.264 1.00 0.15 C ATOM 995 C VAL A 65 9.612 -5.333 -2.371 1.00 0.12 C ATOM 996 O VAL A 65 9.052 -5.567 -3.422 1.00 0.20 O ATOM 997 CB VAL A 65 8.692 -6.026 -0.166 1.00 0.15 C ATOM 998 CG1 VAL A 65 7.267 -6.260 -0.670 1.00 0.16 C ATOM 999 CG2 VAL A 65 8.953 -6.917 1.049 1.00 0.19 C ATOM 0 H VAL A 65 11.146 -6.005 0.232 1.00 0.17 H new ATOM 0 HA VAL A 65 9.425 -7.351 -1.686 1.00 0.15 H new ATOM 0 HB VAL A 65 8.813 -4.980 0.114 1.00 0.15 H new ATOM 0 HG11 VAL A 65 6.557 -6.008 0.117 1.00 0.16 H new ATOM 0 HG12 VAL A 65 7.081 -5.632 -1.541 1.00 0.16 H new ATOM 0 HG13 VAL A 65 7.146 -7.308 -0.946 1.00 0.16 H new ATOM 0 HG21 VAL A 65 8.247 -6.668 1.841 1.00 0.19 H new ATOM 0 HG22 VAL A 65 8.828 -7.962 0.767 1.00 0.19 H new ATOM 0 HG23 VAL A 65 9.970 -6.757 1.406 1.00 0.19 H new ATOM 1009 N ALA A 66 10.186 -4.202 -2.108 1.00 0.06 N ATOM 1010 CA ALA A 66 10.181 -3.128 -3.135 1.00 0.08 C ATOM 1011 C ALA A 66 10.777 -3.663 -4.430 1.00 0.17 C ATOM 1012 O ALA A 66 10.282 -3.400 -5.506 1.00 0.15 O ATOM 1013 CB ALA A 66 11.008 -1.944 -2.633 1.00 0.18 C ATOM 0 H ALA A 66 10.657 -3.972 -1.233 1.00 0.06 H new ATOM 0 HA ALA A 66 9.158 -2.800 -3.320 1.00 0.08 H new ATOM 0 HB1 ALA A 66 11.006 -1.154 -3.384 1.00 0.18 H new ATOM 0 HB2 ALA A 66 10.576 -1.565 -1.707 1.00 0.18 H new ATOM 0 HB3 ALA A 66 12.032 -2.268 -2.449 1.00 0.18 H new ATOM 1019 N SER A 67 11.829 -4.406 -4.294 1.00 0.30 N ATOM 1020 CA SER A 67 12.476 -4.987 -5.495 1.00 0.44 C ATOM 1021 C SER A 67 11.556 -6.034 -6.116 1.00 0.48 C ATOM 1022 O SER A 67 11.705 -6.400 -7.264 1.00 0.56 O ATOM 1023 CB SER A 67 13.799 -5.636 -5.093 1.00 0.49 C ATOM 1024 OG SER A 67 14.663 -4.536 -4.845 1.00 0.88 O ATOM 0 H SER A 67 12.271 -4.638 -3.404 1.00 0.30 H new ATOM 0 HA SER A 67 12.666 -4.200 -6.224 1.00 0.44 H new ATOM 0 HB2 SER A 67 13.684 -6.260 -4.207 1.00 0.49 H new ATOM 0 HB3 SER A 67 14.186 -6.276 -5.886 1.00 0.49 H new ATOM 0 HG SER A 67 14.618 -4.292 -3.897 1.00 0.88 H new ATOM 1030 N GLU A 68 10.620 -6.492 -5.334 1.00 0.47 N ATOM 1031 CA GLU A 68 9.666 -7.504 -5.847 1.00 0.55 C ATOM 1032 C GLU A 68 8.709 -6.839 -6.827 1.00 0.52 C ATOM 1033 O GLU A 68 8.297 -7.426 -7.808 1.00 0.58 O ATOM 1034 CB GLU A 68 8.885 -8.094 -4.674 1.00 0.54 C ATOM 1035 CG GLU A 68 8.355 -9.471 -5.064 1.00 0.66 C ATOM 1036 CD GLU A 68 7.049 -9.743 -4.317 1.00 1.80 C ATOM 1037 OE1 GLU A 68 6.033 -9.287 -4.819 1.00 2.28 O ATOM 1038 OE2 GLU A 68 7.138 -10.392 -3.288 1.00 2.78 O ATOM 0 H GLU A 68 10.477 -6.208 -4.365 1.00 0.47 H new ATOM 0 HA GLU A 68 10.205 -8.301 -6.358 1.00 0.55 H new ATOM 0 HB2 GLU A 68 9.528 -8.174 -3.797 1.00 0.54 H new ATOM 0 HB3 GLU A 68 8.059 -7.436 -4.405 1.00 0.54 H new ATOM 0 HG2 GLU A 68 8.188 -9.517 -6.140 1.00 0.66 H new ATOM 0 HG3 GLU A 68 9.091 -10.238 -4.823 1.00 0.66 H new ATOM 1045 N CYS A 69 8.381 -5.621 -6.528 1.00 0.42 N ATOM 1046 CA CYS A 69 7.467 -4.860 -7.422 1.00 0.38 C ATOM 1047 C CYS A 69 8.303 -3.978 -8.352 1.00 0.39 C ATOM 1048 O CYS A 69 7.803 -3.058 -8.965 1.00 0.47 O ATOM 1049 CB CYS A 69 6.546 -3.990 -6.568 1.00 0.41 C ATOM 1050 SG CYS A 69 5.273 -4.833 -5.596 1.00 0.44 S ATOM 0 H CYS A 69 8.704 -5.115 -5.703 1.00 0.42 H new ATOM 0 HA CYS A 69 6.864 -5.545 -8.018 1.00 0.38 H new ATOM 0 HB2 CYS A 69 7.167 -3.413 -5.882 1.00 0.41 H new ATOM 0 HB3 CYS A 69 6.050 -3.276 -7.226 1.00 0.41 H new ATOM 0 HG CYS A 69 5.110 -4.214 -4.464 1.00 0.44 H new ATOM 1056 N GLU A 70 9.571 -4.297 -8.427 1.00 0.55 N ATOM 1057 CA GLU A 70 10.506 -3.520 -9.298 1.00 0.56 C ATOM 1058 C GLU A 70 10.188 -2.018 -9.275 1.00 0.54 C ATOM 1059 O GLU A 70 10.152 -1.376 -10.306 1.00 0.56 O ATOM 1060 CB GLU A 70 10.451 -4.056 -10.743 1.00 0.61 C ATOM 1061 CG GLU A 70 9.027 -3.941 -11.311 1.00 1.96 C ATOM 1062 CD GLU A 70 9.070 -4.205 -12.819 1.00 2.04 C ATOM 1063 OE1 GLU A 70 9.685 -5.197 -13.177 1.00 1.76 O ATOM 1064 OE2 GLU A 70 8.486 -3.401 -13.527 1.00 2.64 O ATOM 0 H GLU A 70 10.002 -5.069 -7.918 1.00 0.55 H new ATOM 0 HA GLU A 70 11.514 -3.649 -8.904 1.00 0.56 H new ATOM 0 HB2 GLU A 70 11.145 -3.496 -11.371 1.00 0.61 H new ATOM 0 HB3 GLU A 70 10.773 -5.097 -10.763 1.00 0.61 H new ATOM 0 HG2 GLU A 70 8.367 -4.658 -10.822 1.00 1.96 H new ATOM 0 HG3 GLU A 70 8.622 -2.949 -11.114 1.00 1.96 H new ATOM 1071 N VAL A 71 9.975 -1.485 -8.099 1.00 0.51 N ATOM 1072 CA VAL A 71 9.687 -0.018 -8.010 1.00 0.48 C ATOM 1073 C VAL A 71 10.984 0.744 -7.738 1.00 0.69 C ATOM 1074 O VAL A 71 11.884 0.236 -7.099 1.00 1.04 O ATOM 1075 CB VAL A 71 8.698 0.271 -6.874 1.00 0.66 C ATOM 1076 CG1 VAL A 71 7.632 1.246 -7.375 1.00 0.90 C ATOM 1077 CG2 VAL A 71 8.019 -1.020 -6.429 1.00 0.76 C ATOM 0 H VAL A 71 9.987 -1.988 -7.212 1.00 0.51 H new ATOM 0 HA VAL A 71 9.251 0.304 -8.956 1.00 0.48 H new ATOM 0 HB VAL A 71 9.238 0.702 -6.031 1.00 0.66 H new ATOM 0 HG11 VAL A 71 6.925 1.456 -6.572 1.00 0.90 H new ATOM 0 HG12 VAL A 71 8.108 2.174 -7.692 1.00 0.90 H new ATOM 0 HG13 VAL A 71 7.102 0.804 -8.219 1.00 0.90 H new ATOM 0 HG21 VAL A 71 7.319 -0.803 -5.622 1.00 0.76 H new ATOM 0 HG22 VAL A 71 7.480 -1.456 -7.270 1.00 0.76 H new ATOM 0 HG23 VAL A 71 8.772 -1.724 -6.076 1.00 0.76 H new ATOM 1087 N LYS A 72 11.052 1.949 -8.232 1.00 0.68 N ATOM 1088 CA LYS A 72 12.278 2.770 -8.008 1.00 0.97 C ATOM 1089 C LYS A 72 11.877 4.222 -7.747 1.00 0.78 C ATOM 1090 O LYS A 72 12.686 5.124 -7.836 1.00 0.99 O ATOM 1091 CB LYS A 72 13.172 2.695 -9.248 1.00 1.40 C ATOM 1092 CG LYS A 72 13.590 1.239 -9.484 1.00 2.11 C ATOM 1093 CD LYS A 72 14.934 1.209 -10.216 1.00 2.29 C ATOM 1094 CE LYS A 72 16.065 1.193 -9.185 1.00 3.02 C ATOM 1095 NZ LYS A 72 16.005 -0.049 -8.366 1.00 4.83 N ATOM 0 H LYS A 72 10.318 2.400 -8.778 1.00 0.68 H new ATOM 0 HA LYS A 72 12.824 2.387 -7.146 1.00 0.97 H new ATOM 0 HB2 LYS A 72 12.639 3.078 -10.118 1.00 1.40 H new ATOM 0 HB3 LYS A 72 14.054 3.321 -9.113 1.00 1.40 H new ATOM 0 HG2 LYS A 72 13.670 0.713 -8.533 1.00 2.11 H new ATOM 0 HG3 LYS A 72 12.832 0.722 -10.072 1.00 2.11 H new ATOM 0 HD2 LYS A 72 14.995 0.328 -10.855 1.00 2.29 H new ATOM 0 HD3 LYS A 72 15.029 2.080 -10.865 1.00 2.29 H new ATOM 0 HE2 LYS A 72 17.028 1.256 -9.692 1.00 3.02 H new ATOM 0 HE3 LYS A 72 15.988 2.067 -8.538 1.00 3.02 H new ATOM 0 HZ1 LYS A 72 16.964 -0.311 -8.062 1.00 4.83 H new ATOM 0 HZ2 LYS A 72 15.409 0.115 -7.530 1.00 4.83 H new ATOM 0 HZ3 LYS A 72 15.600 -0.820 -8.934 1.00 4.83 H new ATOM 1109 N CYS A 73 10.627 4.409 -7.427 1.00 0.54 N ATOM 1110 CA CYS A 73 10.132 5.785 -7.149 1.00 0.56 C ATOM 1111 C CYS A 73 9.079 5.742 -6.046 1.00 0.48 C ATOM 1112 O CYS A 73 8.273 4.835 -5.994 1.00 0.74 O ATOM 1113 CB CYS A 73 9.516 6.364 -8.423 1.00 0.88 C ATOM 1114 SG CYS A 73 8.310 5.339 -9.301 1.00 1.15 S ATOM 0 H CYS A 73 9.929 3.670 -7.346 1.00 0.54 H new ATOM 0 HA CYS A 73 10.963 6.412 -6.825 1.00 0.56 H new ATOM 0 HB2 CYS A 73 9.034 7.307 -8.166 1.00 0.88 H new ATOM 0 HB3 CYS A 73 10.326 6.598 -9.113 1.00 0.88 H new ATOM 0 HG CYS A 73 7.885 5.974 -10.353 1.00 1.15 H new ATOM 1120 N THR A 74 9.119 6.724 -5.188 1.00 0.42 N ATOM 1121 CA THR A 74 8.134 6.772 -4.071 1.00 0.33 C ATOM 1122 C THR A 74 7.530 8.190 -3.981 1.00 0.31 C ATOM 1123 O THR A 74 8.158 9.148 -4.386 1.00 0.36 O ATOM 1124 CB THR A 74 8.869 6.444 -2.764 1.00 0.33 C ATOM 1125 OG1 THR A 74 10.121 7.111 -2.880 1.00 0.43 O ATOM 1126 CG2 THR A 74 9.214 4.961 -2.673 1.00 0.34 C ATOM 0 H THR A 74 9.789 7.493 -5.212 1.00 0.42 H new ATOM 0 HA THR A 74 7.333 6.053 -4.242 1.00 0.33 H new ATOM 0 HB THR A 74 8.255 6.728 -1.909 1.00 0.33 H new ATOM 0 HG1 THR A 74 10.654 6.949 -2.074 1.00 0.43 H new ATOM 0 HG21 THR A 74 9.734 4.765 -1.735 1.00 0.34 H new ATOM 0 HG22 THR A 74 8.298 4.371 -2.710 1.00 0.34 H new ATOM 0 HG23 THR A 74 9.857 4.685 -3.509 1.00 0.34 H new ATOM 1134 N PRO A 75 6.318 8.306 -3.456 1.00 0.25 N ATOM 1135 CA PRO A 75 5.500 7.173 -2.964 1.00 0.20 C ATOM 1136 C PRO A 75 4.836 6.438 -4.144 1.00 0.21 C ATOM 1137 O PRO A 75 4.403 7.067 -5.090 1.00 0.35 O ATOM 1138 CB PRO A 75 4.422 7.829 -2.095 1.00 0.17 C ATOM 1139 CG PRO A 75 4.465 9.360 -2.392 1.00 0.23 C ATOM 1140 CD PRO A 75 5.697 9.618 -3.281 1.00 0.26 C ATOM 0 HA PRO A 75 6.096 6.440 -2.420 1.00 0.20 H new ATOM 0 HB2 PRO A 75 3.439 7.419 -2.326 1.00 0.17 H new ATOM 0 HB3 PRO A 75 4.608 7.636 -1.039 1.00 0.17 H new ATOM 0 HG2 PRO A 75 3.553 9.680 -2.896 1.00 0.23 H new ATOM 0 HG3 PRO A 75 4.533 9.930 -1.465 1.00 0.23 H new ATOM 0 HD2 PRO A 75 5.409 10.049 -4.240 1.00 0.26 H new ATOM 0 HD3 PRO A 75 6.384 10.320 -2.809 1.00 0.26 H new ATOM 1148 N THR A 76 4.772 5.127 -4.061 1.00 0.19 N ATOM 1149 CA THR A 76 4.137 4.344 -5.171 1.00 0.19 C ATOM 1150 C THR A 76 2.988 3.489 -4.621 1.00 0.16 C ATOM 1151 O THR A 76 3.175 2.705 -3.712 1.00 0.14 O ATOM 1152 CB THR A 76 5.190 3.440 -5.825 1.00 0.24 C ATOM 1153 OG1 THR A 76 6.029 4.330 -6.555 1.00 0.18 O ATOM 1154 CG2 THR A 76 4.567 2.523 -6.874 1.00 0.32 C ATOM 0 H THR A 76 5.128 4.572 -3.282 1.00 0.19 H new ATOM 0 HA THR A 76 3.738 5.034 -5.914 1.00 0.19 H new ATOM 0 HB THR A 76 5.687 2.837 -5.065 1.00 0.24 H new ATOM 0 HG1 THR A 76 6.968 4.113 -6.379 1.00 0.18 H new ATOM 0 HG21 THR A 76 5.342 1.897 -7.316 1.00 0.32 H new ATOM 0 HG22 THR A 76 3.814 1.890 -6.403 1.00 0.32 H new ATOM 0 HG23 THR A 76 4.099 3.126 -7.652 1.00 0.32 H new ATOM 1162 N PHE A 77 1.822 3.662 -5.187 1.00 0.16 N ATOM 1163 CA PHE A 77 0.646 2.871 -4.710 1.00 0.14 C ATOM 1164 C PHE A 77 0.395 1.675 -5.630 1.00 0.16 C ATOM 1165 O PHE A 77 0.418 1.808 -6.837 1.00 0.16 O ATOM 1166 CB PHE A 77 -0.587 3.766 -4.716 1.00 0.13 C ATOM 1167 CG PHE A 77 -0.529 4.702 -3.518 1.00 0.13 C ATOM 1168 CD1 PHE A 77 -0.703 4.203 -2.245 1.00 0.15 C ATOM 1169 CD2 PHE A 77 -0.303 6.057 -3.689 1.00 0.12 C ATOM 1170 CE1 PHE A 77 -0.655 5.044 -1.153 1.00 0.16 C ATOM 1171 CE2 PHE A 77 -0.252 6.897 -2.596 1.00 0.13 C ATOM 1172 CZ PHE A 77 -0.428 6.389 -1.328 1.00 0.15 C ATOM 0 H PHE A 77 1.633 4.310 -5.952 1.00 0.16 H new ATOM 0 HA PHE A 77 0.850 2.507 -3.703 1.00 0.14 H new ATOM 0 HB2 PHE A 77 -0.629 4.341 -5.641 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.492 3.160 -4.676 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.878 3.147 -2.102 1.00 0.15 H new ATOM 0 HD2 PHE A 77 -0.166 6.458 -4.682 1.00 0.12 H new ATOM 0 HE1 PHE A 77 -0.796 4.646 -0.159 1.00 0.16 H new ATOM 0 HE2 PHE A 77 -0.074 7.953 -2.735 1.00 0.13 H new ATOM 0 HZ PHE A 77 -0.388 7.046 -0.472 1.00 0.15 H new ATOM 1182 N GLN A 78 0.162 0.531 -5.033 1.00 0.17 N ATOM 1183 CA GLN A 78 -0.108 -0.697 -5.860 1.00 0.20 C ATOM 1184 C GLN A 78 -1.445 -1.333 -5.461 1.00 0.23 C ATOM 1185 O GLN A 78 -1.882 -1.216 -4.334 1.00 0.24 O ATOM 1186 CB GLN A 78 1.017 -1.706 -5.645 1.00 0.22 C ATOM 1187 CG GLN A 78 2.332 -1.117 -6.162 1.00 0.45 C ATOM 1188 CD GLN A 78 2.669 -1.742 -7.515 1.00 1.04 C ATOM 1189 OE1 GLN A 78 1.796 -2.086 -8.287 1.00 1.94 O ATOM 1190 NE2 GLN A 78 3.923 -1.908 -7.839 1.00 1.27 N ATOM 0 H GLN A 78 0.146 0.390 -4.023 1.00 0.17 H new ATOM 0 HA GLN A 78 -0.157 -0.410 -6.910 1.00 0.20 H new ATOM 0 HB2 GLN A 78 1.106 -1.949 -4.586 1.00 0.22 H new ATOM 0 HB3 GLN A 78 0.792 -2.636 -6.167 1.00 0.22 H new ATOM 0 HG2 GLN A 78 2.245 -0.035 -6.260 1.00 0.45 H new ATOM 0 HG3 GLN A 78 3.135 -1.309 -5.450 1.00 0.45 H new ATOM 0 HE21 GLN A 78 4.659 -1.621 -7.194 1.00 1.27 H new ATOM 0 HE22 GLN A 78 4.167 -2.325 -8.737 1.00 1.27 H new ATOM 1199 N PHE A 79 -2.062 -1.997 -6.411 1.00 0.25 N ATOM 1200 CA PHE A 79 -3.380 -2.657 -6.135 1.00 0.27 C ATOM 1201 C PHE A 79 -3.247 -4.179 -6.308 1.00 0.29 C ATOM 1202 O PHE A 79 -2.895 -4.648 -7.373 1.00 0.31 O ATOM 1203 CB PHE A 79 -4.425 -2.133 -7.134 1.00 0.27 C ATOM 1204 CG PHE A 79 -4.823 -0.689 -6.784 1.00 0.26 C ATOM 1205 CD1 PHE A 79 -3.886 0.337 -6.814 1.00 0.23 C ATOM 1206 CD2 PHE A 79 -6.131 -0.389 -6.433 1.00 0.29 C ATOM 1207 CE1 PHE A 79 -4.256 1.631 -6.498 1.00 0.22 C ATOM 1208 CE2 PHE A 79 -6.493 0.904 -6.119 1.00 0.29 C ATOM 1209 CZ PHE A 79 -5.558 1.913 -6.151 1.00 0.25 C ATOM 0 H PHE A 79 -1.712 -2.110 -7.362 1.00 0.25 H new ATOM 0 HA PHE A 79 -3.688 -2.432 -5.114 1.00 0.27 H new ATOM 0 HB2 PHE A 79 -4.021 -2.171 -8.146 1.00 0.27 H new ATOM 0 HB3 PHE A 79 -5.306 -2.774 -7.118 1.00 0.27 H new ATOM 0 HD1 PHE A 79 -2.863 0.122 -7.086 1.00 0.23 H new ATOM 0 HD2 PHE A 79 -6.872 -1.174 -6.405 1.00 0.29 H new ATOM 0 HE1 PHE A 79 -3.522 2.423 -6.523 1.00 0.22 H new ATOM 0 HE2 PHE A 79 -7.514 1.126 -5.847 1.00 0.29 H new ATOM 0 HZ PHE A 79 -5.845 2.924 -5.904 1.00 0.25 H new ATOM 1219 N PHE A 80 -3.530 -4.916 -5.255 1.00 0.29 N ATOM 1220 CA PHE A 80 -3.429 -6.412 -5.345 1.00 0.30 C ATOM 1221 C PHE A 80 -4.782 -7.054 -5.019 1.00 0.30 C ATOM 1222 O PHE A 80 -5.572 -6.502 -4.278 1.00 0.38 O ATOM 1223 CB PHE A 80 -2.385 -6.906 -4.346 1.00 0.32 C ATOM 1224 CG PHE A 80 -0.991 -6.474 -4.806 1.00 0.30 C ATOM 1225 CD1 PHE A 80 -0.354 -7.136 -5.842 1.00 0.38 C ATOM 1226 CD2 PHE A 80 -0.349 -5.416 -4.190 1.00 0.22 C ATOM 1227 CE1 PHE A 80 0.906 -6.742 -6.250 1.00 0.39 C ATOM 1228 CE2 PHE A 80 0.910 -5.027 -4.601 1.00 0.22 C ATOM 1229 CZ PHE A 80 1.535 -5.691 -5.628 1.00 0.31 C ATOM 0 H PHE A 80 -3.823 -4.552 -4.348 1.00 0.29 H new ATOM 0 HA PHE A 80 -3.138 -6.689 -6.358 1.00 0.30 H new ATOM 0 HB2 PHE A 80 -2.594 -6.501 -3.356 1.00 0.32 H new ATOM 0 HB3 PHE A 80 -2.431 -7.992 -4.263 1.00 0.32 H new ATOM 0 HD1 PHE A 80 -0.844 -7.964 -6.333 1.00 0.38 H new ATOM 0 HD2 PHE A 80 -0.836 -4.890 -3.382 1.00 0.22 H new ATOM 0 HE1 PHE A 80 1.397 -7.261 -7.060 1.00 0.39 H new ATOM 0 HE2 PHE A 80 1.404 -4.199 -4.114 1.00 0.22 H new ATOM 0 HZ PHE A 80 2.521 -5.387 -5.947 1.00 0.31 H new ATOM 1239 N LYS A 81 -5.017 -8.210 -5.581 1.00 0.28 N ATOM 1240 CA LYS A 81 -6.310 -8.907 -5.315 1.00 0.29 C ATOM 1241 C LYS A 81 -6.115 -10.425 -5.383 1.00 0.34 C ATOM 1242 O LYS A 81 -5.468 -10.930 -6.281 1.00 0.35 O ATOM 1243 CB LYS A 81 -7.334 -8.478 -6.363 1.00 0.22 C ATOM 1244 CG LYS A 81 -8.661 -9.190 -6.085 1.00 0.57 C ATOM 1245 CD LYS A 81 -9.753 -8.583 -6.967 1.00 0.64 C ATOM 1246 CE LYS A 81 -11.111 -9.143 -6.539 1.00 1.21 C ATOM 1247 NZ LYS A 81 -12.126 -8.917 -7.604 1.00 1.38 N ATOM 0 H LYS A 81 -4.377 -8.698 -6.207 1.00 0.28 H new ATOM 0 HA LYS A 81 -6.664 -8.641 -4.319 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -7.473 -7.397 -6.333 1.00 0.22 H new ATOM 0 HB3 LYS A 81 -6.976 -8.726 -7.362 1.00 0.22 H new ATOM 0 HG2 LYS A 81 -8.564 -10.257 -6.288 1.00 0.57 H new ATOM 0 HG3 LYS A 81 -8.928 -9.088 -5.033 1.00 0.57 H new ATOM 0 HD2 LYS A 81 -9.749 -7.497 -6.877 1.00 0.64 H new ATOM 0 HD3 LYS A 81 -9.563 -8.816 -8.015 1.00 0.64 H new ATOM 0 HE2 LYS A 81 -11.023 -10.210 -6.333 1.00 1.21 H new ATOM 0 HE3 LYS A 81 -11.433 -8.665 -5.614 1.00 1.21 H new ATOM 0 HZ1 LYS A 81 -13.042 -9.303 -7.298 1.00 1.38 H new ATOM 0 HZ2 LYS A 81 -12.222 -7.897 -7.781 1.00 1.38 H new ATOM 0 HZ3 LYS A 81 -11.824 -9.393 -8.478 1.00 1.38 H new ATOM 1261 N LYS A 82 -6.680 -11.121 -4.434 1.00 0.40 N ATOM 1262 CA LYS A 82 -6.533 -12.607 -4.430 1.00 0.46 C ATOM 1263 C LYS A 82 -5.065 -12.991 -4.631 1.00 0.50 C ATOM 1264 O LYS A 82 -4.752 -14.122 -4.945 1.00 0.66 O ATOM 1265 CB LYS A 82 -7.373 -13.195 -5.562 1.00 0.43 C ATOM 1266 CG LYS A 82 -8.793 -13.449 -5.053 1.00 0.52 C ATOM 1267 CD LYS A 82 -9.660 -13.938 -6.214 1.00 0.95 C ATOM 1268 CE LYS A 82 -11.112 -14.050 -5.745 1.00 1.33 C ATOM 1269 NZ LYS A 82 -11.247 -15.118 -4.715 1.00 1.38 N ATOM 0 H LYS A 82 -7.231 -10.732 -3.669 1.00 0.40 H new ATOM 0 HA LYS A 82 -6.873 -13.000 -3.472 1.00 0.46 H new ATOM 0 HB2 LYS A 82 -7.394 -12.510 -6.409 1.00 0.43 H new ATOM 0 HB3 LYS A 82 -6.929 -14.125 -5.916 1.00 0.43 H new ATOM 0 HG2 LYS A 82 -8.779 -14.191 -4.255 1.00 0.52 H new ATOM 0 HG3 LYS A 82 -9.210 -12.535 -4.631 1.00 0.52 H new ATOM 0 HD2 LYS A 82 -9.589 -13.246 -7.053 1.00 0.95 H new ATOM 0 HD3 LYS A 82 -9.304 -14.906 -6.567 1.00 0.95 H new ATOM 0 HE2 LYS A 82 -11.442 -13.096 -5.334 1.00 1.33 H new ATOM 0 HE3 LYS A 82 -11.759 -14.272 -6.594 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 -12.110 -15.669 -4.897 1.00 1.38 H new ATOM 0 HZ2 LYS A 82 -10.420 -15.747 -4.757 1.00 1.38 H new ATOM 0 HZ3 LYS A 82 -11.305 -14.685 -3.771 1.00 1.38 H new ATOM 1283 N GLY A 83 -4.194 -12.036 -4.446 1.00 0.40 N ATOM 1284 CA GLY A 83 -2.744 -12.323 -4.624 1.00 0.44 C ATOM 1285 C GLY A 83 -2.328 -12.059 -6.071 1.00 0.48 C ATOM 1286 O GLY A 83 -1.482 -12.743 -6.613 1.00 0.81 O ATOM 0 H GLY A 83 -4.422 -11.078 -4.182 1.00 0.40 H new ATOM 0 HA2 GLY A 83 -2.157 -11.700 -3.950 1.00 0.44 H new ATOM 0 HA3 GLY A 83 -2.536 -13.360 -4.362 1.00 0.44 H new ATOM 1290 N GLN A 84 -2.933 -11.068 -6.669 1.00 0.23 N ATOM 1291 CA GLN A 84 -2.588 -10.746 -8.083 1.00 0.23 C ATOM 1292 C GLN A 84 -2.652 -9.235 -8.314 1.00 0.22 C ATOM 1293 O GLN A 84 -3.544 -8.566 -7.831 1.00 0.16 O ATOM 1294 CB GLN A 84 -3.581 -11.443 -9.011 1.00 0.17 C ATOM 1295 CG GLN A 84 -2.891 -12.630 -9.684 1.00 0.98 C ATOM 1296 CD GLN A 84 -3.914 -13.398 -10.523 1.00 0.76 C ATOM 1297 OE1 GLN A 84 -4.999 -12.920 -10.791 1.00 0.85 O ATOM 1298 NE2 GLN A 84 -3.611 -14.592 -10.955 1.00 1.74 N ATOM 0 H GLN A 84 -3.644 -10.473 -6.244 1.00 0.23 H new ATOM 0 HA GLN A 84 -1.576 -11.092 -8.291 1.00 0.23 H new ATOM 0 HB2 GLN A 84 -4.448 -11.784 -8.445 1.00 0.17 H new ATOM 0 HB3 GLN A 84 -3.946 -10.744 -9.764 1.00 0.17 H new ATOM 0 HG2 GLN A 84 -2.074 -12.281 -10.315 1.00 0.98 H new ATOM 0 HG3 GLN A 84 -2.454 -13.286 -8.931 1.00 0.98 H new ATOM 0 HE21 GLN A 84 -2.702 -14.999 -10.734 1.00 1.74 H new ATOM 0 HE22 GLN A 84 -4.283 -15.118 -11.514 1.00 1.74 H new ATOM 1307 N LYS A 85 -1.701 -8.729 -9.049 1.00 0.35 N ATOM 1308 CA LYS A 85 -1.689 -7.269 -9.328 1.00 0.36 C ATOM 1309 C LYS A 85 -2.763 -6.928 -10.365 1.00 0.32 C ATOM 1310 O LYS A 85 -2.924 -7.630 -11.344 1.00 0.32 O ATOM 1311 CB LYS A 85 -0.311 -6.883 -9.866 1.00 0.41 C ATOM 1312 CG LYS A 85 -0.209 -5.360 -9.957 1.00 0.52 C ATOM 1313 CD LYS A 85 1.262 -4.969 -10.110 1.00 0.62 C ATOM 1314 CE LYS A 85 1.825 -5.611 -11.382 1.00 0.66 C ATOM 1315 NZ LYS A 85 2.418 -6.942 -11.076 1.00 1.77 N ATOM 0 H LYS A 85 -0.937 -9.261 -9.466 1.00 0.35 H new ATOM 0 HA LYS A 85 -1.898 -6.717 -8.412 1.00 0.36 H new ATOM 0 HB2 LYS A 85 0.469 -7.272 -9.212 1.00 0.41 H new ATOM 0 HB3 LYS A 85 -0.154 -7.328 -10.848 1.00 0.41 H new ATOM 0 HG2 LYS A 85 -0.786 -4.994 -10.806 1.00 0.52 H new ATOM 0 HG3 LYS A 85 -0.630 -4.900 -9.063 1.00 0.52 H new ATOM 0 HD2 LYS A 85 1.359 -3.885 -10.162 1.00 0.62 H new ATOM 0 HD3 LYS A 85 1.830 -5.298 -9.240 1.00 0.62 H new ATOM 0 HE2 LYS A 85 1.033 -5.721 -12.122 1.00 0.66 H new ATOM 0 HE3 LYS A 85 2.582 -4.961 -11.820 1.00 0.66 H new ATOM 0 HZ1 LYS A 85 3.386 -6.985 -11.453 1.00 1.77 H new ATOM 0 HZ2 LYS A 85 2.441 -7.083 -10.046 1.00 1.77 H new ATOM 0 HZ3 LYS A 85 1.842 -7.688 -11.515 1.00 1.77 H new ATOM 1329 N VAL A 86 -3.474 -5.856 -10.124 1.00 0.29 N ATOM 1330 CA VAL A 86 -4.551 -5.450 -11.084 1.00 0.25 C ATOM 1331 C VAL A 86 -4.465 -3.948 -11.387 1.00 0.24 C ATOM 1332 O VAL A 86 -4.961 -3.489 -12.396 1.00 0.24 O ATOM 1333 CB VAL A 86 -5.909 -5.767 -10.462 1.00 0.22 C ATOM 1334 CG1 VAL A 86 -6.136 -7.279 -10.500 1.00 0.15 C ATOM 1335 CG2 VAL A 86 -5.918 -5.293 -9.008 1.00 0.23 C ATOM 0 H VAL A 86 -3.359 -5.248 -9.313 1.00 0.29 H new ATOM 0 HA VAL A 86 -4.425 -5.999 -12.017 1.00 0.25 H new ATOM 0 HB VAL A 86 -6.698 -5.261 -11.019 1.00 0.22 H new ATOM 0 HG11 VAL A 86 -7.104 -7.513 -10.057 1.00 0.15 H new ATOM 0 HG12 VAL A 86 -6.117 -7.624 -11.534 1.00 0.15 H new ATOM 0 HG13 VAL A 86 -5.349 -7.779 -9.936 1.00 0.15 H new ATOM 0 HG21 VAL A 86 -6.885 -5.517 -8.558 1.00 0.23 H new ATOM 0 HG22 VAL A 86 -5.133 -5.806 -8.453 1.00 0.23 H new ATOM 0 HG23 VAL A 86 -5.742 -4.218 -8.975 1.00 0.23 H new ATOM 1345 N GLY A 87 -3.840 -3.214 -10.506 1.00 0.24 N ATOM 1346 CA GLY A 87 -3.716 -1.747 -10.736 1.00 0.22 C ATOM 1347 C GLY A 87 -2.453 -1.207 -10.068 1.00 0.22 C ATOM 1348 O GLY A 87 -1.939 -1.798 -9.139 1.00 0.26 O ATOM 0 H GLY A 87 -3.415 -3.562 -9.647 1.00 0.24 H new ATOM 0 HA2 GLY A 87 -3.685 -1.542 -11.806 1.00 0.22 H new ATOM 0 HA3 GLY A 87 -4.592 -1.235 -10.339 1.00 0.22 H new ATOM 1352 N GLU A 88 -1.969 -0.099 -10.559 1.00 0.19 N ATOM 1353 CA GLU A 88 -0.742 0.485 -9.951 1.00 0.19 C ATOM 1354 C GLU A 88 -0.476 1.886 -10.502 1.00 0.19 C ATOM 1355 O GLU A 88 -0.361 2.079 -11.696 1.00 0.19 O ATOM 1356 CB GLU A 88 0.450 -0.417 -10.267 1.00 0.19 C ATOM 1357 CG GLU A 88 0.695 -0.414 -11.776 1.00 1.06 C ATOM 1358 CD GLU A 88 1.356 -1.731 -12.184 1.00 1.50 C ATOM 1359 OE1 GLU A 88 2.574 -1.764 -12.131 1.00 1.12 O ATOM 1360 OE2 GLU A 88 0.605 -2.630 -12.527 1.00 2.62 O ATOM 0 H GLU A 88 -2.364 0.420 -11.343 1.00 0.19 H new ATOM 0 HA GLU A 88 -0.886 0.558 -8.873 1.00 0.19 H new ATOM 0 HB2 GLU A 88 1.338 -0.065 -9.741 1.00 0.19 H new ATOM 0 HB3 GLU A 88 0.256 -1.432 -9.920 1.00 0.19 H new ATOM 0 HG2 GLU A 88 -0.247 -0.287 -12.309 1.00 1.06 H new ATOM 0 HG3 GLU A 88 1.332 0.426 -12.051 1.00 1.06 H new ATOM 1367 N PHE A 89 -0.385 2.833 -9.612 1.00 0.20 N ATOM 1368 CA PHE A 89 -0.113 4.224 -10.042 1.00 0.20 C ATOM 1369 C PHE A 89 0.659 4.960 -8.943 1.00 0.23 C ATOM 1370 O PHE A 89 0.337 4.843 -7.774 1.00 0.23 O ATOM 1371 CB PHE A 89 -1.443 4.911 -10.307 1.00 0.21 C ATOM 1372 CG PHE A 89 -1.942 5.604 -9.038 1.00 0.21 C ATOM 1373 CD1 PHE A 89 -1.477 6.861 -8.690 1.00 0.27 C ATOM 1374 CD2 PHE A 89 -2.872 4.983 -8.221 1.00 0.17 C ATOM 1375 CE1 PHE A 89 -1.934 7.484 -7.546 1.00 0.28 C ATOM 1376 CE2 PHE A 89 -3.327 5.609 -7.078 1.00 0.17 C ATOM 1377 CZ PHE A 89 -2.859 6.858 -6.743 1.00 0.23 C ATOM 0 H PHE A 89 -0.488 2.700 -8.606 1.00 0.20 H new ATOM 0 HA PHE A 89 0.491 4.231 -10.950 1.00 0.20 H new ATOM 0 HB2 PHE A 89 -1.330 5.641 -11.108 1.00 0.21 H new ATOM 0 HB3 PHE A 89 -2.178 4.180 -10.643 1.00 0.21 H new ATOM 0 HD1 PHE A 89 -0.752 7.357 -9.318 1.00 0.27 H new ATOM 0 HD2 PHE A 89 -3.244 4.003 -8.480 1.00 0.17 H new ATOM 0 HE1 PHE A 89 -1.565 8.464 -7.281 1.00 0.28 H new ATOM 0 HE2 PHE A 89 -4.052 5.117 -6.446 1.00 0.17 H new ATOM 0 HZ PHE A 89 -3.218 7.347 -5.850 1.00 0.23 H new ATOM 1387 N SER A 90 1.666 5.694 -9.340 1.00 0.25 N ATOM 1388 CA SER A 90 2.482 6.434 -8.329 1.00 0.28 C ATOM 1389 C SER A 90 2.168 7.929 -8.367 1.00 0.36 C ATOM 1390 O SER A 90 1.461 8.398 -9.237 1.00 0.43 O ATOM 1391 CB SER A 90 3.964 6.216 -8.628 1.00 0.30 C ATOM 1392 OG SER A 90 4.205 7.006 -9.782 1.00 0.40 O ATOM 0 H SER A 90 1.957 5.813 -10.310 1.00 0.25 H new ATOM 0 HA SER A 90 2.239 6.057 -7.336 1.00 0.28 H new ATOM 0 HB2 SER A 90 4.589 6.530 -7.792 1.00 0.30 H new ATOM 0 HB3 SER A 90 4.183 5.164 -8.812 1.00 0.30 H new ATOM 0 HG SER A 90 5.146 6.924 -10.044 1.00 0.40 H new ATOM 1398 N GLY A 91 2.709 8.642 -7.411 1.00 0.35 N ATOM 1399 CA GLY A 91 2.469 10.112 -7.346 1.00 0.42 C ATOM 1400 C GLY A 91 1.938 10.493 -5.963 1.00 0.33 C ATOM 1401 O GLY A 91 1.178 9.758 -5.366 1.00 0.31 O ATOM 0 H GLY A 91 3.306 8.268 -6.674 1.00 0.35 H new ATOM 0 HA2 GLY A 91 3.395 10.650 -7.550 1.00 0.42 H new ATOM 0 HA3 GLY A 91 1.753 10.407 -8.114 1.00 0.42 H new ATOM 1405 N ALA A 92 2.354 11.630 -5.481 1.00 0.35 N ATOM 1406 CA ALA A 92 1.879 12.074 -4.138 1.00 0.29 C ATOM 1407 C ALA A 92 0.445 12.612 -4.232 1.00 0.39 C ATOM 1408 O ALA A 92 0.154 13.686 -3.741 1.00 0.67 O ATOM 1409 CB ALA A 92 2.805 13.173 -3.620 1.00 0.26 C ATOM 0 H ALA A 92 2.996 12.267 -5.952 1.00 0.35 H new ATOM 0 HA ALA A 92 1.890 11.225 -3.454 1.00 0.29 H new ATOM 0 HB1 ALA A 92 2.465 13.503 -2.639 1.00 0.26 H new ATOM 0 HB2 ALA A 92 3.821 12.785 -3.540 1.00 0.26 H new ATOM 0 HB3 ALA A 92 2.791 14.016 -4.311 1.00 0.26 H new ATOM 1415 N ASN A 93 -0.418 11.850 -4.862 1.00 0.25 N ATOM 1416 CA ASN A 93 -1.843 12.292 -5.002 1.00 0.30 C ATOM 1417 C ASN A 93 -2.772 11.347 -4.233 1.00 0.28 C ATOM 1418 O ASN A 93 -2.946 10.204 -4.605 1.00 0.61 O ATOM 1419 CB ASN A 93 -2.230 12.289 -6.478 1.00 0.47 C ATOM 1420 CG ASN A 93 -3.562 13.023 -6.644 1.00 0.66 C ATOM 1421 OD1 ASN A 93 -4.025 13.253 -7.744 1.00 0.98 O ATOM 1422 ND2 ASN A 93 -4.209 13.407 -5.576 1.00 0.69 N ATOM 0 H ASN A 93 -0.200 10.947 -5.283 1.00 0.25 H new ATOM 0 HA ASN A 93 -1.943 13.297 -4.593 1.00 0.30 H new ATOM 0 HB2 ASN A 93 -1.456 12.775 -7.071 1.00 0.47 H new ATOM 0 HB3 ASN A 93 -2.316 11.265 -6.843 1.00 0.47 H new ATOM 0 HD21 ASN A 93 -5.099 13.897 -5.667 1.00 0.69 H new ATOM 0 HD22 ASN A 93 -3.825 13.216 -4.651 1.00 0.69 H new ATOM 1429 N LYS A 94 -3.347 11.850 -3.176 1.00 0.38 N ATOM 1430 CA LYS A 94 -4.270 11.001 -2.366 1.00 0.46 C ATOM 1431 C LYS A 94 -5.688 11.090 -2.932 1.00 0.36 C ATOM 1432 O LYS A 94 -6.354 10.091 -3.103 1.00 0.35 O ATOM 1433 CB LYS A 94 -4.284 11.498 -0.910 1.00 0.73 C ATOM 1434 CG LYS A 94 -2.845 11.715 -0.399 1.00 1.57 C ATOM 1435 CD LYS A 94 -2.178 10.363 -0.121 1.00 3.77 C ATOM 1436 CE LYS A 94 -0.865 10.290 -0.901 1.00 5.06 C ATOM 1437 NZ LYS A 94 -1.129 10.344 -2.366 1.00 5.83 N ATOM 0 H LYS A 94 -3.220 12.804 -2.839 1.00 0.38 H new ATOM 0 HA LYS A 94 -3.924 9.968 -2.403 1.00 0.46 H new ATOM 0 HB2 LYS A 94 -4.844 12.431 -0.843 1.00 0.73 H new ATOM 0 HB3 LYS A 94 -4.795 10.773 -0.277 1.00 0.73 H new ATOM 0 HG2 LYS A 94 -2.267 12.270 -1.139 1.00 1.57 H new ATOM 0 HG3 LYS A 94 -2.860 12.316 0.510 1.00 1.57 H new ATOM 0 HD2 LYS A 94 -1.989 10.248 0.946 1.00 3.77 H new ATOM 0 HD3 LYS A 94 -2.839 9.548 -0.418 1.00 3.77 H new ATOM 0 HE2 LYS A 94 -0.216 11.116 -0.611 1.00 5.06 H new ATOM 0 HE3 LYS A 94 -0.338 9.369 -0.653 1.00 5.06 H new ATOM 0 HZ1 LYS A 94 -0.317 9.947 -2.880 1.00 5.83 H new ATOM 0 HZ2 LYS A 94 -1.982 9.790 -2.586 1.00 5.83 H new ATOM 0 HZ3 LYS A 94 -1.273 11.332 -2.657 1.00 5.83 H new ATOM 1451 N GLU A 95 -6.121 12.289 -3.210 1.00 0.41 N ATOM 1452 CA GLU A 95 -7.491 12.457 -3.766 1.00 0.34 C ATOM 1453 C GLU A 95 -7.719 11.444 -4.887 1.00 0.27 C ATOM 1454 O GLU A 95 -8.840 11.149 -5.248 1.00 0.27 O ATOM 1455 CB GLU A 95 -7.640 13.875 -4.316 1.00 0.38 C ATOM 1456 CG GLU A 95 -7.160 14.873 -3.260 1.00 1.35 C ATOM 1457 CD GLU A 95 -7.619 16.281 -3.648 1.00 1.44 C ATOM 1458 OE1 GLU A 95 -8.770 16.571 -3.367 1.00 1.58 O ATOM 1459 OE2 GLU A 95 -6.792 16.985 -4.204 1.00 2.24 O ATOM 0 H GLU A 95 -5.591 13.151 -3.078 1.00 0.41 H new ATOM 0 HA GLU A 95 -8.227 12.291 -2.980 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -7.058 13.987 -5.231 1.00 0.38 H new ATOM 0 HB3 GLU A 95 -8.681 14.071 -4.574 1.00 0.38 H new ATOM 0 HG2 GLU A 95 -7.559 14.605 -2.282 1.00 1.35 H new ATOM 0 HG3 GLU A 95 -6.073 14.841 -3.181 1.00 1.35 H new ATOM 1466 N LYS A 96 -6.641 10.931 -5.412 1.00 0.21 N ATOM 1467 CA LYS A 96 -6.760 9.929 -6.505 1.00 0.16 C ATOM 1468 C LYS A 96 -7.026 8.539 -5.904 1.00 0.11 C ATOM 1469 O LYS A 96 -7.795 7.768 -6.442 1.00 0.09 O ATOM 1470 CB LYS A 96 -5.453 9.920 -7.315 1.00 0.15 C ATOM 1471 CG LYS A 96 -5.594 8.998 -8.546 1.00 0.24 C ATOM 1472 CD LYS A 96 -6.280 9.760 -9.692 1.00 1.28 C ATOM 1473 CE LYS A 96 -5.218 10.234 -10.688 1.00 0.66 C ATOM 1474 NZ LYS A 96 -5.850 11.003 -11.798 1.00 1.96 N ATOM 0 H LYS A 96 -5.688 11.162 -5.132 1.00 0.21 H new ATOM 0 HA LYS A 96 -7.590 10.188 -7.162 1.00 0.16 H new ATOM 0 HB2 LYS A 96 -5.209 10.933 -7.636 1.00 0.15 H new ATOM 0 HB3 LYS A 96 -4.630 9.578 -6.687 1.00 0.15 H new ATOM 0 HG2 LYS A 96 -4.612 8.650 -8.865 1.00 0.24 H new ATOM 0 HG3 LYS A 96 -6.176 8.114 -8.285 1.00 0.24 H new ATOM 0 HD2 LYS A 96 -7.003 9.115 -10.192 1.00 1.28 H new ATOM 0 HD3 LYS A 96 -6.833 10.613 -9.298 1.00 1.28 H new ATOM 0 HE2 LYS A 96 -4.484 10.858 -10.177 1.00 0.66 H new ATOM 0 HE3 LYS A 96 -4.681 9.376 -11.092 1.00 0.66 H new ATOM 0 HZ1 LYS A 96 -5.116 11.317 -12.465 1.00 1.96 H new ATOM 0 HZ2 LYS A 96 -6.533 10.397 -12.296 1.00 1.96 H new ATOM 0 HZ3 LYS A 96 -6.342 11.832 -11.409 1.00 1.96 H new ATOM 1488 N LEU A 97 -6.385 8.249 -4.801 1.00 0.15 N ATOM 1489 CA LEU A 97 -6.606 6.918 -4.161 1.00 0.13 C ATOM 1490 C LEU A 97 -8.108 6.654 -4.018 1.00 0.14 C ATOM 1491 O LEU A 97 -8.578 5.573 -4.290 1.00 0.23 O ATOM 1492 CB LEU A 97 -5.969 6.906 -2.764 1.00 0.18 C ATOM 1493 CG LEU A 97 -4.519 6.422 -2.859 1.00 0.61 C ATOM 1494 CD1 LEU A 97 -3.728 6.931 -1.648 1.00 0.60 C ATOM 1495 CD2 LEU A 97 -4.488 4.883 -2.862 1.00 0.93 C ATOM 0 H LEU A 97 -5.728 8.865 -4.322 1.00 0.15 H new ATOM 0 HA LEU A 97 -6.153 6.147 -4.784 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.001 7.906 -2.331 1.00 0.18 H new ATOM 0 HB3 LEU A 97 -6.537 6.254 -2.101 1.00 0.18 H new ATOM 0 HG LEU A 97 -4.075 6.803 -3.779 1.00 0.61 H new ATOM 0 HD11 LEU A 97 -2.696 6.586 -1.716 1.00 0.60 H new ATOM 0 HD12 LEU A 97 -3.746 8.021 -1.633 1.00 0.60 H new ATOM 0 HD13 LEU A 97 -4.179 6.548 -0.732 1.00 0.60 H new ATOM 0 HD21 LEU A 97 -3.456 4.540 -2.930 1.00 0.93 H new ATOM 0 HD22 LEU A 97 -4.935 4.508 -1.941 1.00 0.93 H new ATOM 0 HD23 LEU A 97 -5.051 4.509 -3.717 1.00 0.93 H new ATOM 1507 N GLU A 98 -8.826 7.656 -3.587 1.00 0.15 N ATOM 1508 CA GLU A 98 -10.298 7.485 -3.409 1.00 0.15 C ATOM 1509 C GLU A 98 -10.932 6.916 -4.678 1.00 0.15 C ATOM 1510 O GLU A 98 -11.349 5.776 -4.714 1.00 0.13 O ATOM 1511 CB GLU A 98 -10.924 8.842 -3.081 1.00 0.17 C ATOM 1512 CG GLU A 98 -12.264 8.619 -2.377 1.00 0.32 C ATOM 1513 CD GLU A 98 -13.106 9.891 -2.480 1.00 0.64 C ATOM 1514 OE1 GLU A 98 -12.634 10.897 -1.976 1.00 1.30 O ATOM 1515 OE2 GLU A 98 -14.176 9.785 -3.058 1.00 1.55 O ATOM 0 H GLU A 98 -8.461 8.579 -3.352 1.00 0.15 H new ATOM 0 HA GLU A 98 -10.478 6.786 -2.592 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.256 9.420 -2.443 1.00 0.17 H new ATOM 0 HB3 GLU A 98 -11.071 9.419 -3.994 1.00 0.17 H new ATOM 0 HG2 GLU A 98 -12.792 7.781 -2.832 1.00 0.32 H new ATOM 0 HG3 GLU A 98 -12.100 8.361 -1.331 1.00 0.32 H new ATOM 1522 N ALA A 99 -10.992 7.723 -5.687 1.00 0.17 N ATOM 1523 CA ALA A 99 -11.598 7.255 -6.967 1.00 0.18 C ATOM 1524 C ALA A 99 -10.983 5.916 -7.380 1.00 0.18 C ATOM 1525 O ALA A 99 -11.686 4.952 -7.612 1.00 0.33 O ATOM 1526 CB ALA A 99 -11.336 8.295 -8.053 1.00 0.22 C ATOM 0 H ALA A 99 -10.651 8.684 -5.689 1.00 0.17 H new ATOM 0 HA ALA A 99 -12.672 7.123 -6.832 1.00 0.18 H new ATOM 0 HB1 ALA A 99 -11.776 7.959 -8.992 1.00 0.22 H new ATOM 0 HB2 ALA A 99 -11.783 9.246 -7.762 1.00 0.22 H new ATOM 0 HB3 ALA A 99 -10.261 8.424 -8.182 1.00 0.22 H new ATOM 1532 N THR A 100 -9.681 5.884 -7.461 1.00 0.27 N ATOM 1533 CA THR A 100 -9.005 4.614 -7.857 1.00 0.23 C ATOM 1534 C THR A 100 -9.604 3.441 -7.080 1.00 0.18 C ATOM 1535 O THR A 100 -9.990 2.447 -7.657 1.00 0.22 O ATOM 1536 CB THR A 100 -7.510 4.724 -7.556 1.00 0.23 C ATOM 1537 OG1 THR A 100 -7.126 5.987 -8.090 1.00 0.27 O ATOM 1538 CG2 THR A 100 -6.705 3.694 -8.342 1.00 0.20 C ATOM 0 H THR A 100 -9.061 6.672 -7.273 1.00 0.27 H new ATOM 0 HA THR A 100 -9.151 4.443 -8.923 1.00 0.23 H new ATOM 0 HB THR A 100 -7.333 4.587 -6.489 1.00 0.23 H new ATOM 0 HG1 THR A 100 -7.077 6.647 -7.367 1.00 0.27 H new ATOM 0 HG21 THR A 100 -5.647 3.801 -8.104 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.038 2.691 -8.075 1.00 0.20 H new ATOM 0 HG23 THR A 100 -6.854 3.853 -9.410 1.00 0.20 H new ATOM 1546 N ILE A 101 -9.664 3.573 -5.785 1.00 0.17 N ATOM 1547 CA ILE A 101 -10.256 2.472 -4.978 1.00 0.14 C ATOM 1548 C ILE A 101 -11.673 2.221 -5.459 1.00 0.04 C ATOM 1549 O ILE A 101 -12.104 1.093 -5.586 1.00 0.02 O ATOM 1550 CB ILE A 101 -10.271 2.869 -3.499 1.00 0.20 C ATOM 1551 CG1 ILE A 101 -8.869 2.673 -2.909 1.00 0.33 C ATOM 1552 CG2 ILE A 101 -11.266 1.978 -2.751 1.00 0.27 C ATOM 1553 CD1 ILE A 101 -8.664 3.659 -1.753 1.00 0.44 C ATOM 0 H ILE A 101 -9.335 4.382 -5.258 1.00 0.17 H new ATOM 0 HA ILE A 101 -9.662 1.565 -5.094 1.00 0.14 H new ATOM 0 HB ILE A 101 -10.566 3.913 -3.399 1.00 0.20 H new ATOM 0 HG12 ILE A 101 -8.751 1.649 -2.554 1.00 0.33 H new ATOM 0 HG13 ILE A 101 -8.113 2.833 -3.677 1.00 0.33 H new ATOM 0 HG21 ILE A 101 -11.282 2.255 -1.697 1.00 0.27 H new ATOM 0 HG22 ILE A 101 -12.261 2.108 -3.175 1.00 0.27 H new ATOM 0 HG23 ILE A 101 -10.964 0.935 -2.847 1.00 0.27 H new ATOM 0 HD11 ILE A 101 -7.668 3.523 -1.331 1.00 0.44 H new ATOM 0 HD12 ILE A 101 -8.765 4.679 -2.123 1.00 0.44 H new ATOM 0 HD13 ILE A 101 -9.413 3.477 -0.982 1.00 0.44 H new ATOM 1565 N ASN A 102 -12.364 3.284 -5.722 1.00 0.05 N ATOM 1566 CA ASN A 102 -13.755 3.144 -6.221 1.00 0.13 C ATOM 1567 C ASN A 102 -13.732 2.415 -7.562 1.00 0.16 C ATOM 1568 O ASN A 102 -14.747 1.949 -8.041 1.00 0.24 O ATOM 1569 CB ASN A 102 -14.368 4.533 -6.403 1.00 0.17 C ATOM 1570 CG ASN A 102 -15.829 4.511 -5.946 1.00 0.77 C ATOM 1571 OD1 ASN A 102 -16.466 3.477 -5.908 1.00 0.85 O ATOM 1572 ND2 ASN A 102 -16.398 5.631 -5.593 1.00 1.31 N ATOM 0 H ASN A 102 -12.031 4.242 -5.615 1.00 0.05 H new ATOM 0 HA ASN A 102 -14.351 2.576 -5.506 1.00 0.13 H new ATOM 0 HB2 ASN A 102 -13.807 5.268 -5.826 1.00 0.17 H new ATOM 0 HB3 ASN A 102 -14.308 4.835 -7.449 1.00 0.17 H new ATOM 0 HD21 ASN A 102 -17.371 5.635 -5.288 1.00 1.31 H new ATOM 0 HD22 ASN A 102 -15.870 6.503 -5.622 1.00 1.31 H new ATOM 1579 N GLU A 103 -12.564 2.337 -8.139 1.00 0.16 N ATOM 1580 CA GLU A 103 -12.434 1.643 -9.449 1.00 0.26 C ATOM 1581 C GLU A 103 -12.559 0.128 -9.270 1.00 0.31 C ATOM 1582 O GLU A 103 -13.326 -0.516 -9.957 1.00 0.43 O ATOM 1583 CB GLU A 103 -11.065 1.967 -10.053 1.00 0.27 C ATOM 1584 CG GLU A 103 -11.138 1.809 -11.574 1.00 0.35 C ATOM 1585 CD GLU A 103 -11.589 3.131 -12.200 1.00 1.28 C ATOM 1586 OE1 GLU A 103 -12.793 3.299 -12.299 1.00 2.44 O ATOM 1587 OE2 GLU A 103 -10.704 3.896 -12.544 1.00 1.17 O ATOM 0 H GLU A 103 -11.698 2.722 -7.761 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.230 1.985 -10.110 1.00 0.26 H new ATOM 0 HB2 GLU A 103 -10.771 2.984 -9.794 1.00 0.27 H new ATOM 0 HB3 GLU A 103 -10.306 1.302 -9.642 1.00 0.27 H new ATOM 0 HG2 GLU A 103 -10.164 1.521 -11.968 1.00 0.35 H new ATOM 0 HG3 GLU A 103 -11.836 1.013 -11.835 1.00 0.35 H new ATOM 1594 N LEU A 104 -11.802 -0.414 -8.343 1.00 0.24 N ATOM 1595 CA LEU A 104 -11.855 -1.895 -8.130 1.00 0.29 C ATOM 1596 C LEU A 104 -12.743 -2.254 -6.927 1.00 0.23 C ATOM 1597 O LEU A 104 -12.987 -3.414 -6.668 1.00 0.32 O ATOM 1598 CB LEU A 104 -10.436 -2.419 -7.882 1.00 0.32 C ATOM 1599 CG LEU A 104 -9.459 -1.751 -8.860 1.00 0.35 C ATOM 1600 CD1 LEU A 104 -8.089 -2.422 -8.737 1.00 0.43 C ATOM 1601 CD2 LEU A 104 -9.970 -1.926 -10.294 1.00 0.42 C ATOM 0 H LEU A 104 -11.161 0.096 -7.735 1.00 0.24 H new ATOM 0 HA LEU A 104 -12.281 -2.355 -9.021 1.00 0.29 H new ATOM 0 HB2 LEU A 104 -10.136 -2.212 -6.855 1.00 0.32 H new ATOM 0 HB3 LEU A 104 -10.410 -3.501 -8.010 1.00 0.32 H new ATOM 0 HG LEU A 104 -9.379 -0.690 -8.625 1.00 0.35 H new ATOM 0 HD11 LEU A 104 -7.390 -1.952 -9.429 1.00 0.43 H new ATOM 0 HD12 LEU A 104 -7.720 -2.311 -7.717 1.00 0.43 H new ATOM 0 HD13 LEU A 104 -8.180 -3.481 -8.977 1.00 0.43 H new ATOM 0 HD21 LEU A 104 -9.276 -1.452 -10.988 1.00 0.42 H new ATOM 0 HD22 LEU A 104 -10.046 -2.988 -10.526 1.00 0.42 H new ATOM 0 HD23 LEU A 104 -10.952 -1.463 -10.389 1.00 0.42 H new ATOM 1613 N VAL A 105 -13.214 -1.257 -6.225 1.00 0.12 N ATOM 1614 CA VAL A 105 -14.080 -1.548 -5.035 1.00 0.16 C ATOM 1615 C VAL A 105 -15.113 -2.627 -5.377 1.00 0.24 C ATOM 1616 O VAL A 105 -15.603 -2.573 -6.493 1.00 0.86 O ATOM 1617 CB VAL A 105 -14.805 -0.268 -4.615 1.00 0.19 C ATOM 1618 CG1 VAL A 105 -15.794 0.136 -5.713 1.00 0.24 C ATOM 1619 CG2 VAL A 105 -15.573 -0.522 -3.316 1.00 0.18 C ATOM 1620 OXT VAL A 105 -15.353 -3.444 -4.502 1.00 1.18 O ATOM 0 H VAL A 105 -13.043 -0.270 -6.416 1.00 0.12 H new ATOM 0 HA VAL A 105 -13.452 -1.907 -4.219 1.00 0.16 H new ATOM 0 HB VAL A 105 -14.078 0.530 -4.461 1.00 0.19 H new ATOM 0 HG11 VAL A 105 -16.313 1.048 -5.418 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.253 0.311 -6.643 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.520 -0.663 -5.860 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -16.090 0.389 -3.015 1.00 0.18 H new ATOM 0 HG22 VAL A 105 -16.301 -1.318 -3.473 1.00 0.18 H new ATOM 0 HG23 VAL A 105 -14.875 -0.819 -2.533 1.00 0.18 H new TER 1630 VAL A 105