USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 595 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 SER OG : rot 109:sc= 0.364 USER MOD Set 1.3: A 45 HIS :FLIP no HD1:sc= -1.3 F(o=-1.5,f=-0.94) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 1.08 K(o=2.2,f=-3.6!) USER MOD Set 2.2: A 61 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0.434 (180deg=-0.244!) USER MOD Single : A 13 MET CE :methyl 178:sc= -0.159 (180deg=-0.167) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= -0.0104 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0.0112 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.0852 F(o=-0.97,f=-0.085) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= 1.19 (180deg=1.06) USER MOD Single : A 24 SER OG : rot -34:sc= 0.533 USER MOD Single : A 25 SER OG : rot -140:sc= 0 USER MOD Single : A 27 THR OG1 : rot 56:sc= 0.518 USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.0348) USER MOD Single : A 35 CYS SG : rot -50:sc= -0.971 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 42 ASN : amide:sc= -0.139 K(o=-0.14,f=-3) USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= 0.945 (180deg=-2.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-8.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -68:sc= 0.88 USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 2.39 (180deg=2.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.150 -8.935 -1.507 1.00 9.01 N ATOM 2 CA MET A 1 15.224 -10.399 -1.622 1.00 8.13 C ATOM 3 C MET A 1 15.573 -10.978 -0.249 1.00 7.05 C ATOM 4 O MET A 1 16.738 -10.953 0.136 1.00 7.78 O ATOM 5 CB MET A 1 16.248 -10.825 -2.684 1.00 9.00 C ATOM 6 CG MET A 1 15.802 -10.445 -4.103 1.00 10.29 C ATOM 7 SD MET A 1 16.890 -11.060 -5.411 1.00 11.56 S ATOM 8 CE MET A 1 16.014 -10.434 -6.861 1.00 13.23 C ATOM 0 H1 MET A 1 14.572 -8.555 -2.283 1.00 9.01 H new ATOM 0 H2 MET A 1 14.718 -8.680 -0.596 1.00 9.01 H new ATOM 0 H3 MET A 1 16.108 -8.534 -1.560 1.00 9.01 H new ATOM 0 HA MET A 1 14.259 -10.788 -1.946 1.00 8.13 H new ATOM 0 HB2 MET A 1 17.208 -10.357 -2.469 1.00 9.00 H new ATOM 0 HB3 MET A 1 16.400 -11.903 -2.629 1.00 9.00 H new ATOM 0 HG2 MET A 1 14.796 -10.830 -4.271 1.00 10.29 H new ATOM 0 HG3 MET A 1 15.744 -9.359 -4.175 1.00 10.29 H new ATOM 0 HE1 MET A 1 16.551 -10.724 -7.764 1.00 13.23 H new ATOM 0 HE2 MET A 1 15.008 -10.852 -6.887 1.00 13.23 H new ATOM 0 HE3 MET A 1 15.954 -9.347 -6.808 1.00 13.23 H new ATOM 20 N GLY A 2 14.562 -11.430 0.494 1.00 5.85 N ATOM 21 CA GLY A 2 14.679 -11.797 1.900 1.00 5.41 C ATOM 22 C GLY A 2 14.152 -10.619 2.709 1.00 5.01 C ATOM 23 O GLY A 2 14.907 -9.941 3.403 1.00 6.02 O ATOM 0 H GLY A 2 13.619 -11.553 0.124 1.00 5.85 H new ATOM 0 HA2 GLY A 2 14.106 -12.699 2.113 1.00 5.41 H new ATOM 0 HA3 GLY A 2 15.716 -12.010 2.159 1.00 5.41 H new ATOM 27 N ASP A 3 12.866 -10.331 2.507 1.00 4.15 N ATOM 28 CA ASP A 3 12.289 -9.011 2.702 1.00 4.05 C ATOM 29 C ASP A 3 11.380 -9.020 3.931 1.00 2.02 C ATOM 30 O ASP A 3 11.789 -9.460 5.002 1.00 2.69 O ATOM 31 CB ASP A 3 11.553 -8.623 1.405 1.00 5.46 C ATOM 32 CG ASP A 3 12.462 -8.780 0.198 1.00 7.28 C ATOM 33 OD1 ASP A 3 12.545 -9.907 -0.336 1.00 8.14 O ATOM 34 OD2 ASP A 3 13.189 -7.823 -0.144 1.00 8.20 O ATOM 0 H ASP A 3 12.187 -11.026 2.197 1.00 4.15 H new ATOM 0 HA ASP A 3 13.055 -8.260 2.897 1.00 4.05 H new ATOM 0 HB2 ASP A 3 10.669 -9.248 1.283 1.00 5.46 H new ATOM 0 HB3 ASP A 3 11.207 -7.592 1.473 1.00 5.46 H new ATOM 39 N GLY A 4 10.145 -8.536 3.779 1.00 1.30 N ATOM 40 CA GLY A 4 9.158 -8.482 4.840 1.00 2.59 C ATOM 41 C GLY A 4 8.260 -7.271 4.637 1.00 2.26 C ATOM 42 O GLY A 4 7.062 -7.345 4.906 1.00 2.86 O ATOM 0 H GLY A 4 9.804 -8.165 2.892 1.00 1.30 H new ATOM 0 HA2 GLY A 4 8.561 -9.394 4.843 1.00 2.59 H new ATOM 0 HA3 GLY A 4 9.653 -8.422 5.809 1.00 2.59 H new ATOM 46 N VAL A 5 8.840 -6.147 4.187 1.00 1.66 N ATOM 47 CA VAL A 5 8.122 -4.892 4.010 1.00 1.48 C ATOM 48 C VAL A 5 8.512 -4.200 2.706 1.00 1.50 C ATOM 49 O VAL A 5 9.576 -4.464 2.151 1.00 2.14 O ATOM 50 CB VAL A 5 8.266 -3.973 5.250 1.00 1.63 C ATOM 51 CG1 VAL A 5 8.419 -4.755 6.566 1.00 2.66 C ATOM 52 CG2 VAL A 5 9.439 -2.988 5.166 1.00 1.54 C ATOM 0 H VAL A 5 9.827 -6.092 3.936 1.00 1.66 H new ATOM 0 HA VAL A 5 7.061 -5.125 3.925 1.00 1.48 H new ATOM 0 HB VAL A 5 7.329 -3.415 5.249 1.00 1.63 H new ATOM 0 HG11 VAL A 5 8.515 -4.055 7.396 1.00 2.66 H new ATOM 0 HG12 VAL A 5 7.541 -5.382 6.721 1.00 2.66 H new ATOM 0 HG13 VAL A 5 9.309 -5.382 6.515 1.00 2.66 H new ATOM 0 HG21 VAL A 5 9.471 -2.382 6.071 1.00 1.54 H new ATOM 0 HG22 VAL A 5 10.373 -3.542 5.067 1.00 1.54 H new ATOM 0 HG23 VAL A 5 9.308 -2.339 4.300 1.00 1.54 H new ATOM 62 N LEU A 6 7.638 -3.306 2.238 1.00 1.13 N ATOM 63 CA LEU A 6 7.823 -2.433 1.092 1.00 1.17 C ATOM 64 C LEU A 6 6.996 -1.177 1.370 1.00 1.11 C ATOM 65 O LEU A 6 6.045 -1.226 2.153 1.00 1.55 O ATOM 66 CB LEU A 6 7.354 -3.163 -0.176 1.00 1.21 C ATOM 67 CG LEU A 6 7.392 -2.352 -1.483 1.00 1.27 C ATOM 68 CD1 LEU A 6 8.821 -1.950 -1.866 1.00 2.15 C ATOM 69 CD2 LEU A 6 6.792 -3.195 -2.614 1.00 1.86 C ATOM 0 H LEU A 6 6.729 -3.169 2.681 1.00 1.13 H new ATOM 0 HA LEU A 6 8.867 -2.160 0.936 1.00 1.17 H new ATOM 0 HB2 LEU A 6 7.971 -4.052 -0.307 1.00 1.21 H new ATOM 0 HB3 LEU A 6 6.332 -3.505 -0.015 1.00 1.21 H new ATOM 0 HG LEU A 6 6.815 -1.440 -1.328 1.00 1.27 H new ATOM 0 HD11 LEU A 6 8.802 -1.379 -2.794 1.00 2.15 H new ATOM 0 HD12 LEU A 6 9.252 -1.339 -1.073 1.00 2.15 H new ATOM 0 HD13 LEU A 6 9.427 -2.846 -2.003 1.00 2.15 H new ATOM 0 HD21 LEU A 6 6.816 -2.626 -3.544 1.00 1.86 H new ATOM 0 HD22 LEU A 6 7.373 -4.110 -2.733 1.00 1.86 H new ATOM 0 HD23 LEU A 6 5.760 -3.449 -2.370 1.00 1.86 H new ATOM 81 N GLU A 7 7.357 -0.059 0.742 1.00 0.78 N ATOM 82 CA GLU A 7 6.629 1.190 0.839 1.00 0.82 C ATOM 83 C GLU A 7 6.242 1.666 -0.558 1.00 0.86 C ATOM 84 O GLU A 7 6.924 1.340 -1.531 1.00 1.26 O ATOM 85 CB GLU A 7 7.506 2.241 1.513 1.00 0.85 C ATOM 86 CG GLU A 7 7.799 1.975 2.994 1.00 0.92 C ATOM 87 CD GLU A 7 8.343 3.237 3.646 1.00 1.23 C ATOM 88 OE1 GLU A 7 9.166 3.927 3.005 1.00 1.68 O ATOM 89 OE2 GLU A 7 7.813 3.654 4.701 1.00 2.48 O ATOM 0 H GLU A 7 8.180 -0.002 0.142 1.00 0.78 H new ATOM 0 HA GLU A 7 5.727 1.038 1.431 1.00 0.82 H new ATOM 0 HB2 GLU A 7 8.452 2.305 0.975 1.00 0.85 H new ATOM 0 HB3 GLU A 7 7.021 3.213 1.421 1.00 0.85 H new ATOM 0 HG2 GLU A 7 6.889 1.655 3.502 1.00 0.92 H new ATOM 0 HG3 GLU A 7 8.521 1.164 3.092 1.00 0.92 H new ATOM 96 N LEU A 8 5.179 2.468 -0.643 1.00 0.66 N ATOM 97 CA LEU A 8 4.734 3.092 -1.877 1.00 0.67 C ATOM 98 C LEU A 8 4.037 4.423 -1.546 1.00 0.65 C ATOM 99 O LEU A 8 3.394 4.544 -0.504 1.00 0.70 O ATOM 100 CB LEU A 8 3.945 2.097 -2.770 1.00 0.70 C ATOM 101 CG LEU A 8 2.754 1.304 -2.200 1.00 0.69 C ATOM 102 CD1 LEU A 8 3.076 0.405 -1.003 1.00 2.66 C ATOM 103 CD2 LEU A 8 1.545 2.190 -1.912 1.00 2.72 C ATOM 0 H LEU A 8 4.597 2.702 0.161 1.00 0.66 H new ATOM 0 HA LEU A 8 5.581 3.358 -2.510 1.00 0.67 H new ATOM 0 HB2 LEU A 8 3.575 2.659 -3.627 1.00 0.70 H new ATOM 0 HB3 LEU A 8 4.662 1.370 -3.151 1.00 0.70 H new ATOM 0 HG LEU A 8 2.496 0.620 -3.008 1.00 0.69 H new ATOM 0 HD11 LEU A 8 2.170 -0.108 -0.679 1.00 2.66 H new ATOM 0 HD12 LEU A 8 3.826 -0.331 -1.292 1.00 2.66 H new ATOM 0 HD13 LEU A 8 3.461 1.013 -0.184 1.00 2.66 H new ATOM 0 HD21 LEU A 8 0.734 1.581 -1.512 1.00 2.72 H new ATOM 0 HD22 LEU A 8 1.819 2.953 -1.184 1.00 2.72 H new ATOM 0 HD23 LEU A 8 1.217 2.670 -2.834 1.00 2.72 H new ATOM 115 N VAL A 9 4.240 5.450 -2.376 1.00 0.68 N ATOM 116 CA VAL A 9 3.623 6.769 -2.266 1.00 0.65 C ATOM 117 C VAL A 9 2.335 6.732 -3.081 1.00 0.63 C ATOM 118 O VAL A 9 2.367 6.255 -4.210 1.00 0.73 O ATOM 119 CB VAL A 9 4.597 7.855 -2.764 1.00 0.73 C ATOM 120 CG1 VAL A 9 3.915 9.205 -3.030 1.00 0.85 C ATOM 121 CG2 VAL A 9 5.672 8.098 -1.702 1.00 0.85 C ATOM 0 H VAL A 9 4.867 5.379 -3.177 1.00 0.68 H new ATOM 0 HA VAL A 9 3.390 7.017 -1.230 1.00 0.65 H new ATOM 0 HB VAL A 9 5.012 7.485 -3.701 1.00 0.73 H new ATOM 0 HG11 VAL A 9 4.656 9.925 -3.378 1.00 0.85 H new ATOM 0 HG12 VAL A 9 3.145 9.080 -3.792 1.00 0.85 H new ATOM 0 HG13 VAL A 9 3.459 9.570 -2.110 1.00 0.85 H new ATOM 0 HG21 VAL A 9 6.362 8.866 -2.052 1.00 0.85 H new ATOM 0 HG22 VAL A 9 5.201 8.428 -0.776 1.00 0.85 H new ATOM 0 HG23 VAL A 9 6.220 7.173 -1.520 1.00 0.85 H new ATOM 131 N VAL A 10 1.216 7.191 -2.509 1.00 0.64 N ATOM 132 CA VAL A 10 -0.124 6.963 -3.046 1.00 0.69 C ATOM 133 C VAL A 10 -0.866 8.290 -3.215 1.00 0.78 C ATOM 134 O VAL A 10 -1.739 8.666 -2.427 1.00 1.45 O ATOM 135 CB VAL A 10 -0.912 5.916 -2.224 1.00 0.75 C ATOM 136 CG1 VAL A 10 -1.408 4.759 -3.098 1.00 1.39 C ATOM 137 CG2 VAL A 10 -0.072 5.274 -1.122 1.00 1.34 C ATOM 0 H VAL A 10 1.219 7.738 -1.648 1.00 0.64 H new ATOM 0 HA VAL A 10 -0.026 6.526 -4.040 1.00 0.69 H new ATOM 0 HB VAL A 10 -1.742 6.478 -1.795 1.00 0.75 H new ATOM 0 HG11 VAL A 10 -1.956 4.046 -2.482 1.00 1.39 H new ATOM 0 HG12 VAL A 10 -2.065 5.147 -3.876 1.00 1.39 H new ATOM 0 HG13 VAL A 10 -0.556 4.260 -3.559 1.00 1.39 H new ATOM 0 HG21 VAL A 10 -0.678 4.548 -0.579 1.00 1.34 H new ATOM 0 HG22 VAL A 10 0.787 4.770 -1.566 1.00 1.34 H new ATOM 0 HG23 VAL A 10 0.275 6.044 -0.434 1.00 1.34 H new ATOM 147 N ARG A 11 -0.535 9.009 -4.287 1.00 0.63 N ATOM 148 CA ARG A 11 -1.303 10.181 -4.682 1.00 0.80 C ATOM 149 C ARG A 11 -2.751 9.741 -4.921 1.00 0.83 C ATOM 150 O ARG A 11 -2.977 8.693 -5.524 1.00 1.00 O ATOM 151 CB ARG A 11 -0.657 10.837 -5.910 1.00 1.17 C ATOM 152 CG ARG A 11 0.583 11.631 -5.469 1.00 1.22 C ATOM 153 CD ARG A 11 1.435 12.152 -6.635 1.00 2.09 C ATOM 154 NE ARG A 11 2.510 11.208 -6.986 1.00 3.11 N ATOM 155 CZ ARG A 11 2.433 10.204 -7.872 1.00 4.22 C ATOM 156 NH1 ARG A 11 1.343 10.022 -8.616 1.00 4.70 N ATOM 157 NH2 ARG A 11 3.449 9.353 -8.029 1.00 5.57 N ATOM 0 H ARG A 11 0.258 8.799 -4.893 1.00 0.63 H new ATOM 0 HA ARG A 11 -1.307 10.940 -3.900 1.00 0.80 H new ATOM 0 HB2 ARG A 11 -0.376 10.076 -6.637 1.00 1.17 H new ATOM 0 HB3 ARG A 11 -1.371 11.498 -6.401 1.00 1.17 H new ATOM 0 HG2 ARG A 11 0.263 12.476 -4.859 1.00 1.22 H new ATOM 0 HG3 ARG A 11 1.202 10.997 -4.835 1.00 1.22 H new ATOM 0 HD2 ARG A 11 0.799 12.320 -7.504 1.00 2.09 H new ATOM 0 HD3 ARG A 11 1.869 13.115 -6.367 1.00 2.09 H new ATOM 0 HE ARG A 11 3.402 11.330 -6.507 1.00 3.11 H new ATOM 0 HH11 ARG A 11 0.547 10.652 -8.517 1.00 4.70 H new ATOM 0 HH12 ARG A 11 1.304 9.252 -9.284 1.00 4.70 H new ATOM 0 HH21 ARG A 11 4.296 9.462 -7.472 1.00 5.57 H new ATOM 0 HH22 ARG A 11 3.378 8.593 -8.706 1.00 5.57 H new ATOM 171 N GLY A 12 -3.710 10.496 -4.375 1.00 0.85 N ATOM 172 CA GLY A 12 -5.125 10.138 -4.336 1.00 0.96 C ATOM 173 C GLY A 12 -5.659 10.229 -2.904 1.00 0.83 C ATOM 174 O GLY A 12 -6.814 10.595 -2.686 1.00 0.92 O ATOM 0 H GLY A 12 -3.514 11.396 -3.937 1.00 0.85 H new ATOM 0 HA2 GLY A 12 -5.693 10.804 -4.986 1.00 0.96 H new ATOM 0 HA3 GLY A 12 -5.261 9.126 -4.718 1.00 0.96 H new ATOM 178 N MET A 13 -4.822 9.932 -1.902 1.00 0.87 N ATOM 179 CA MET A 13 -5.137 10.334 -0.537 1.00 0.99 C ATOM 180 C MET A 13 -5.235 11.861 -0.491 1.00 1.46 C ATOM 181 O MET A 13 -4.504 12.546 -1.205 1.00 2.33 O ATOM 182 CB MET A 13 -4.070 9.839 0.439 1.00 1.15 C ATOM 183 CG MET A 13 -4.288 8.402 0.912 1.00 1.00 C ATOM 184 SD MET A 13 -3.142 7.869 2.202 1.00 1.79 S ATOM 185 CE MET A 13 -1.632 7.715 1.233 1.00 1.10 C ATOM 0 H MET A 13 -3.943 9.426 -2.011 1.00 0.87 H new ATOM 0 HA MET A 13 -6.086 9.890 -0.238 1.00 0.99 H new ATOM 0 HB2 MET A 13 -3.093 9.911 -0.038 1.00 1.15 H new ATOM 0 HB3 MET A 13 -4.050 10.498 1.307 1.00 1.15 H new ATOM 0 HG2 MET A 13 -5.308 8.304 1.284 1.00 1.00 H new ATOM 0 HG3 MET A 13 -4.194 7.731 0.058 1.00 1.00 H new ATOM 0 HE1 MET A 13 -0.809 7.426 1.886 1.00 1.10 H new ATOM 0 HE2 MET A 13 -1.769 6.955 0.464 1.00 1.10 H new ATOM 0 HE3 MET A 13 -1.403 8.671 0.762 1.00 1.10 H new ATOM 195 N THR A 14 -6.147 12.386 0.332 1.00 1.59 N ATOM 196 CA THR A 14 -6.387 13.820 0.432 1.00 1.96 C ATOM 197 C THR A 14 -7.186 14.141 1.700 1.00 2.00 C ATOM 198 O THR A 14 -6.666 14.784 2.607 1.00 3.02 O ATOM 199 CB THR A 14 -7.006 14.364 -0.877 1.00 2.37 C ATOM 200 OG1 THR A 14 -7.345 15.726 -0.724 1.00 3.05 O ATOM 201 CG2 THR A 14 -8.241 13.608 -1.388 1.00 2.13 C ATOM 0 H THR A 14 -6.738 11.825 0.946 1.00 1.59 H new ATOM 0 HA THR A 14 -5.440 14.349 0.542 1.00 1.96 H new ATOM 0 HB THR A 14 -6.229 14.218 -1.627 1.00 2.37 H new ATOM 0 HG1 THR A 14 -7.734 16.062 -1.558 1.00 3.05 H new ATOM 0 HG21 THR A 14 -8.595 14.070 -2.309 1.00 2.13 H new ATOM 0 HG22 THR A 14 -7.977 12.568 -1.582 1.00 2.13 H new ATOM 0 HG23 THR A 14 -9.029 13.648 -0.636 1.00 2.13 H new ATOM 209 N CYS A 15 -8.439 13.681 1.782 1.00 1.58 N ATOM 210 CA CYS A 15 -9.368 14.119 2.821 1.00 2.05 C ATOM 211 C CYS A 15 -9.110 13.406 4.151 1.00 2.18 C ATOM 212 O CYS A 15 -8.567 13.996 5.081 1.00 3.75 O ATOM 213 CB CYS A 15 -10.811 13.935 2.340 1.00 2.30 C ATOM 214 SG CYS A 15 -11.933 14.303 3.711 1.00 2.92 S ATOM 0 H CYS A 15 -8.833 12.999 1.133 1.00 1.58 H new ATOM 0 HA CYS A 15 -9.203 15.180 3.008 1.00 2.05 H new ATOM 0 HB2 CYS A 15 -11.015 14.596 1.497 1.00 2.30 H new ATOM 0 HB3 CYS A 15 -10.965 12.914 1.990 1.00 2.30 H new ATOM 0 HG CYS A 15 -13.163 14.153 3.317 1.00 2.92 H new ATOM 220 N ALA A 16 -9.520 12.139 4.253 1.00 1.63 N ATOM 221 CA ALA A 16 -9.428 11.365 5.483 1.00 1.57 C ATOM 222 C ALA A 16 -9.690 9.897 5.180 1.00 1.32 C ATOM 223 O ALA A 16 -8.793 9.069 5.304 1.00 1.85 O ATOM 224 CB ALA A 16 -10.433 11.870 6.525 1.00 1.95 C ATOM 0 H ALA A 16 -9.928 11.622 3.474 1.00 1.63 H new ATOM 0 HA ALA A 16 -8.425 11.482 5.893 1.00 1.57 H new ATOM 0 HB1 ALA A 16 -10.344 11.275 7.434 1.00 1.95 H new ATOM 0 HB2 ALA A 16 -10.226 12.915 6.753 1.00 1.95 H new ATOM 0 HB3 ALA A 16 -11.444 11.779 6.129 1.00 1.95 H new ATOM 230 N SER A 17 -10.925 9.583 4.769 1.00 1.33 N ATOM 231 CA SER A 17 -11.399 8.210 4.615 1.00 0.95 C ATOM 232 C SER A 17 -10.416 7.365 3.805 1.00 0.82 C ATOM 233 O SER A 17 -10.198 6.205 4.133 1.00 0.81 O ATOM 234 CB SER A 17 -12.803 8.187 3.995 1.00 0.83 C ATOM 235 OG SER A 17 -13.413 6.924 4.175 1.00 2.25 O ATOM 0 H SER A 17 -11.627 10.285 4.533 1.00 1.33 H new ATOM 0 HA SER A 17 -11.462 7.764 5.608 1.00 0.95 H new ATOM 0 HB2 SER A 17 -13.419 8.961 4.452 1.00 0.83 H new ATOM 0 HB3 SER A 17 -12.739 8.416 2.931 1.00 0.83 H new ATOM 0 HG SER A 17 -14.307 6.932 3.774 1.00 2.25 H new ATOM 241 N CYS A 18 -9.809 7.955 2.768 1.00 0.79 N ATOM 242 CA CYS A 18 -8.765 7.343 1.949 1.00 0.70 C ATOM 243 C CYS A 18 -7.777 6.512 2.775 1.00 0.63 C ATOM 244 O CYS A 18 -7.365 5.443 2.331 1.00 0.67 O ATOM 245 CB CYS A 18 -8.030 8.405 1.128 1.00 0.75 C ATOM 246 SG CYS A 18 -9.134 9.152 -0.099 1.00 0.94 S ATOM 0 H CYS A 18 -10.041 8.902 2.469 1.00 0.79 H new ATOM 0 HA CYS A 18 -9.262 6.652 1.268 1.00 0.70 H new ATOM 0 HB2 CYS A 18 -7.641 9.178 1.791 1.00 0.75 H new ATOM 0 HB3 CYS A 18 -7.174 7.954 0.626 1.00 0.75 H new ATOM 0 HG CYS A 18 -8.484 10.050 -0.778 1.00 0.94 H new ATOM 252 N VAL A 19 -7.426 6.973 3.982 1.00 0.60 N ATOM 253 CA VAL A 19 -6.615 6.216 4.924 1.00 0.61 C ATOM 254 C VAL A 19 -7.208 4.816 5.130 1.00 0.67 C ATOM 255 O VAL A 19 -6.655 3.827 4.648 1.00 0.71 O ATOM 256 CB VAL A 19 -6.463 7.007 6.239 1.00 0.71 C ATOM 257 CG1 VAL A 19 -5.761 6.216 7.353 1.00 0.93 C ATOM 258 CG2 VAL A 19 -5.660 8.292 5.990 1.00 0.61 C ATOM 0 H VAL A 19 -7.703 7.891 4.329 1.00 0.60 H new ATOM 0 HA VAL A 19 -5.612 6.073 4.521 1.00 0.61 H new ATOM 0 HB VAL A 19 -7.477 7.227 6.572 1.00 0.71 H new ATOM 0 HG11 VAL A 19 -5.689 6.834 8.248 1.00 0.93 H new ATOM 0 HG12 VAL A 19 -6.335 5.317 7.578 1.00 0.93 H new ATOM 0 HG13 VAL A 19 -4.760 5.935 7.025 1.00 0.93 H new ATOM 0 HG21 VAL A 19 -5.558 8.844 6.924 1.00 0.61 H new ATOM 0 HG22 VAL A 19 -4.671 8.035 5.610 1.00 0.61 H new ATOM 0 HG23 VAL A 19 -6.180 8.910 5.258 1.00 0.61 H new ATOM 268 N HIS A 20 -8.353 4.704 5.812 1.00 0.71 N ATOM 269 CA HIS A 20 -8.920 3.391 6.099 1.00 0.77 C ATOM 270 C HIS A 20 -9.310 2.676 4.801 1.00 0.78 C ATOM 271 O HIS A 20 -9.282 1.450 4.740 1.00 0.85 O ATOM 272 CB HIS A 20 -10.032 3.476 7.165 1.00 0.84 C ATOM 273 CG HIS A 20 -11.454 3.261 6.703 1.00 0.99 C ATOM 274 ND1 HIS A 20 -12.071 3.840 5.628 1.00 1.35 N flip ATOM 275 CD2 HIS A 20 -12.388 2.468 7.331 1.00 1.00 C flip ATOM 276 CE1 HIS A 20 -13.388 3.383 5.582 1.00 1.48 C flip ATOM 277 NE2 HIS A 20 -13.533 2.566 6.635 1.00 1.27 N flip ATOM 0 H HIS A 20 -8.893 5.493 6.168 1.00 0.71 H new ATOM 0 HA HIS A 20 -8.160 2.758 6.556 1.00 0.77 H new ATOM 0 HB2 HIS A 20 -9.814 2.740 7.939 1.00 0.84 H new ATOM 0 HB3 HIS A 20 -9.975 4.458 7.634 1.00 0.84 H new ATOM 0 HD2 HIS A 20 -12.229 1.876 8.220 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -14.138 3.636 4.848 1.00 1.48 H new ATOM 0 HE2 HIS A 20 -14.398 2.083 6.876 1.00 1.27 H new ATOM 285 N LYS A 21 -9.634 3.441 3.752 1.00 0.76 N ATOM 286 CA LYS A 21 -9.923 2.926 2.421 1.00 0.86 C ATOM 287 C LYS A 21 -8.763 2.057 1.951 1.00 0.84 C ATOM 288 O LYS A 21 -8.994 1.003 1.373 1.00 1.11 O ATOM 289 CB LYS A 21 -10.150 4.094 1.448 1.00 0.90 C ATOM 290 CG LYS A 21 -11.331 3.928 0.482 1.00 1.21 C ATOM 291 CD LYS A 21 -10.958 3.131 -0.774 1.00 1.65 C ATOM 292 CE LYS A 21 -12.120 3.182 -1.779 1.00 1.98 C ATOM 293 NZ LYS A 21 -11.778 2.562 -3.076 1.00 3.04 N ATOM 0 H LYS A 21 -9.702 4.457 3.813 1.00 0.76 H new ATOM 0 HA LYS A 21 -10.829 2.320 2.452 1.00 0.86 H new ATOM 0 HB2 LYS A 21 -10.303 5.004 2.029 1.00 0.90 H new ATOM 0 HB3 LYS A 21 -9.242 4.239 0.863 1.00 0.90 H new ATOM 0 HG2 LYS A 21 -12.149 3.425 0.997 1.00 1.21 H new ATOM 0 HG3 LYS A 21 -11.696 4.912 0.188 1.00 1.21 H new ATOM 0 HD2 LYS A 21 -10.055 3.544 -1.225 1.00 1.65 H new ATOM 0 HD3 LYS A 21 -10.738 2.097 -0.509 1.00 1.65 H new ATOM 0 HE2 LYS A 21 -12.985 2.673 -1.354 1.00 1.98 H new ATOM 0 HE3 LYS A 21 -12.409 4.220 -1.942 1.00 1.98 H new ATOM 0 HZ1 LYS A 21 -12.462 2.867 -3.798 1.00 3.04 H new ATOM 0 HZ2 LYS A 21 -10.821 2.855 -3.359 1.00 3.04 H new ATOM 0 HZ3 LYS A 21 -11.810 1.526 -2.985 1.00 3.04 H new ATOM 307 N ILE A 22 -7.529 2.496 2.200 1.00 0.59 N ATOM 308 CA ILE A 22 -6.332 1.734 1.884 1.00 0.51 C ATOM 309 C ILE A 22 -6.166 0.672 2.965 1.00 0.60 C ATOM 310 O ILE A 22 -6.243 -0.528 2.697 1.00 0.69 O ATOM 311 CB ILE A 22 -5.126 2.692 1.778 1.00 0.52 C ATOM 312 CG1 ILE A 22 -5.263 3.529 0.508 1.00 0.36 C ATOM 313 CG2 ILE A 22 -3.814 1.913 1.718 1.00 0.82 C ATOM 314 CD1 ILE A 22 -4.299 4.707 0.347 1.00 0.53 C ATOM 0 H ILE A 22 -7.336 3.400 2.631 1.00 0.59 H new ATOM 0 HA ILE A 22 -6.407 1.231 0.920 1.00 0.51 H new ATOM 0 HB ILE A 22 -5.113 3.332 2.660 1.00 0.52 H new ATOM 0 HG12 ILE A 22 -5.137 2.868 -0.349 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -6.281 3.916 0.465 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.980 2.611 1.644 1.00 0.82 H new ATOM 0 HG22 ILE A 22 -3.706 1.313 2.621 1.00 0.82 H new ATOM 0 HG23 ILE A 22 -3.819 1.259 0.846 1.00 0.82 H new ATOM 0 HD11 ILE A 22 -4.502 5.217 -0.595 1.00 0.53 H new ATOM 0 HD12 ILE A 22 -4.435 5.404 1.174 1.00 0.53 H new ATOM 0 HD13 ILE A 22 -3.273 4.340 0.347 1.00 0.53 H new ATOM 326 N GLU A 23 -5.943 1.131 4.195 1.00 0.64 N ATOM 327 CA GLU A 23 -5.550 0.312 5.325 1.00 0.69 C ATOM 328 C GLU A 23 -6.450 -0.918 5.452 1.00 0.72 C ATOM 329 O GLU A 23 -5.987 -2.056 5.348 1.00 0.75 O ATOM 330 CB GLU A 23 -5.557 1.191 6.588 1.00 0.77 C ATOM 331 CG GLU A 23 -4.330 0.930 7.464 1.00 0.92 C ATOM 332 CD GLU A 23 -4.061 2.116 8.370 1.00 2.19 C ATOM 333 OE1 GLU A 23 -4.894 2.347 9.271 1.00 3.19 O ATOM 334 OE2 GLU A 23 -3.043 2.788 8.101 1.00 3.13 O ATOM 0 H GLU A 23 -6.036 2.118 4.434 1.00 0.64 H new ATOM 0 HA GLU A 23 -4.542 -0.075 5.180 1.00 0.69 H new ATOM 0 HB2 GLU A 23 -5.582 2.242 6.300 1.00 0.77 H new ATOM 0 HB3 GLU A 23 -6.463 0.996 7.162 1.00 0.77 H new ATOM 0 HG2 GLU A 23 -4.489 0.035 8.065 1.00 0.92 H new ATOM 0 HG3 GLU A 23 -3.460 0.741 6.835 1.00 0.92 H new ATOM 341 N SER A 24 -7.756 -0.674 5.584 1.00 0.73 N ATOM 342 CA SER A 24 -8.757 -1.709 5.796 1.00 0.81 C ATOM 343 C SER A 24 -9.058 -2.497 4.516 1.00 1.01 C ATOM 344 O SER A 24 -9.918 -3.384 4.537 1.00 1.84 O ATOM 345 CB SER A 24 -10.039 -1.089 6.367 1.00 0.97 C ATOM 346 OG SER A 24 -10.919 -2.103 6.811 1.00 1.43 O ATOM 0 H SER A 24 -8.149 0.266 5.545 1.00 0.73 H new ATOM 0 HA SER A 24 -8.350 -2.420 6.515 1.00 0.81 H new ATOM 0 HB2 SER A 24 -9.792 -0.424 7.195 1.00 0.97 H new ATOM 0 HB3 SER A 24 -10.528 -0.482 5.605 1.00 0.97 H new ATOM 0 HG SER A 24 -10.829 -2.890 6.234 1.00 1.43 H new ATOM 352 N SER A 25 -8.400 -2.170 3.398 1.00 0.60 N ATOM 353 CA SER A 25 -8.483 -2.902 2.147 1.00 0.63 C ATOM 354 C SER A 25 -7.283 -3.839 2.009 1.00 0.61 C ATOM 355 O SER A 25 -7.458 -4.958 1.542 1.00 0.83 O ATOM 356 CB SER A 25 -8.644 -1.934 0.975 1.00 0.66 C ATOM 357 OG SER A 25 -8.965 -2.638 -0.212 1.00 0.78 O ATOM 0 H SER A 25 -7.779 -1.363 3.346 1.00 0.60 H new ATOM 0 HA SER A 25 -9.371 -3.534 2.141 1.00 0.63 H new ATOM 0 HB2 SER A 25 -9.428 -1.211 1.199 1.00 0.66 H new ATOM 0 HB3 SER A 25 -7.722 -1.371 0.832 1.00 0.66 H new ATOM 0 HG SER A 25 -8.482 -2.243 -0.967 1.00 0.78 H new ATOM 363 N LEU A 26 -6.089 -3.427 2.448 1.00 0.50 N ATOM 364 CA LEU A 26 -4.931 -4.314 2.482 1.00 0.56 C ATOM 365 C LEU A 26 -5.158 -5.474 3.444 1.00 0.62 C ATOM 366 O LEU A 26 -4.822 -6.608 3.104 1.00 0.67 O ATOM 367 CB LEU A 26 -3.642 -3.584 2.896 1.00 0.77 C ATOM 368 CG LEU A 26 -2.903 -2.815 1.792 1.00 1.06 C ATOM 369 CD1 LEU A 26 -2.698 -3.629 0.509 1.00 1.56 C ATOM 370 CD2 LEU A 26 -3.576 -1.480 1.494 1.00 2.51 C ATOM 0 H LEU A 26 -5.903 -2.482 2.784 1.00 0.50 H new ATOM 0 HA LEU A 26 -4.810 -4.687 1.465 1.00 0.56 H new ATOM 0 HB2 LEU A 26 -3.889 -2.883 3.693 1.00 0.77 H new ATOM 0 HB3 LEU A 26 -2.955 -4.318 3.318 1.00 0.77 H new ATOM 0 HG LEU A 26 -1.907 -2.618 2.187 1.00 1.06 H new ATOM 0 HD11 LEU A 26 -2.170 -3.022 -0.226 1.00 1.56 H new ATOM 0 HD12 LEU A 26 -2.111 -4.520 0.733 1.00 1.56 H new ATOM 0 HD13 LEU A 26 -3.667 -3.924 0.107 1.00 1.56 H new ATOM 0 HD21 LEU A 26 -3.026 -0.963 0.708 1.00 2.51 H new ATOM 0 HD22 LEU A 26 -4.601 -1.654 1.166 1.00 2.51 H new ATOM 0 HD23 LEU A 26 -3.583 -0.867 2.395 1.00 2.51 H new ATOM 382 N THR A 27 -5.677 -5.197 4.646 1.00 0.68 N ATOM 383 CA THR A 27 -5.791 -6.185 5.714 1.00 0.82 C ATOM 384 C THR A 27 -6.761 -7.307 5.318 1.00 0.90 C ATOM 385 O THR A 27 -7.925 -7.268 5.718 1.00 2.04 O ATOM 386 CB THR A 27 -6.259 -5.496 7.003 1.00 0.98 C ATOM 387 OG1 THR A 27 -7.444 -4.778 6.728 1.00 1.05 O ATOM 388 CG2 THR A 27 -5.199 -4.539 7.552 1.00 1.15 C ATOM 0 H THR A 27 -6.030 -4.275 4.902 1.00 0.68 H new ATOM 0 HA THR A 27 -4.813 -6.635 5.885 1.00 0.82 H new ATOM 0 HB THR A 27 -6.437 -6.262 7.758 1.00 0.98 H new ATOM 0 HG1 THR A 27 -8.115 -5.386 6.353 1.00 1.05 H new ATOM 0 HG21 THR A 27 -5.569 -4.071 8.465 1.00 1.15 H new ATOM 0 HG22 THR A 27 -4.287 -5.094 7.772 1.00 1.15 H new ATOM 0 HG23 THR A 27 -4.985 -3.769 6.811 1.00 1.15 H new ATOM 396 N LYS A 28 -6.274 -8.263 4.522 1.00 0.99 N ATOM 397 CA LYS A 28 -6.970 -9.400 3.923 1.00 1.09 C ATOM 398 C LYS A 28 -6.133 -10.019 2.802 1.00 0.93 C ATOM 399 O LYS A 28 -6.219 -11.227 2.592 1.00 1.19 O ATOM 400 CB LYS A 28 -8.360 -9.044 3.376 1.00 1.30 C ATOM 401 CG LYS A 28 -8.321 -7.964 2.286 1.00 1.12 C ATOM 402 CD LYS A 28 -9.660 -7.230 2.145 1.00 1.86 C ATOM 403 CE LYS A 28 -9.868 -6.283 3.337 1.00 3.93 C ATOM 404 NZ LYS A 28 -11.008 -5.367 3.147 1.00 5.06 N ATOM 0 H LYS A 28 -5.289 -8.258 4.257 1.00 0.99 H new ATOM 0 HA LYS A 28 -7.110 -10.119 4.730 1.00 1.09 H new ATOM 0 HB2 LYS A 28 -8.826 -9.943 2.972 1.00 1.30 H new ATOM 0 HB3 LYS A 28 -8.990 -8.700 4.197 1.00 1.30 H new ATOM 0 HG2 LYS A 28 -7.537 -7.243 2.520 1.00 1.12 H new ATOM 0 HG3 LYS A 28 -8.059 -8.423 1.333 1.00 1.12 H new ATOM 0 HD2 LYS A 28 -9.678 -6.665 1.213 1.00 1.86 H new ATOM 0 HD3 LYS A 28 -10.476 -7.951 2.096 1.00 1.86 H new ATOM 0 HE2 LYS A 28 -10.028 -6.872 4.240 1.00 3.93 H new ATOM 0 HE3 LYS A 28 -8.961 -5.699 3.494 1.00 3.93 H new ATOM 0 HZ1 LYS A 28 -10.899 -4.543 3.772 1.00 5.06 H new ATOM 0 HZ2 LYS A 28 -11.037 -5.049 2.157 1.00 5.06 H new ATOM 0 HZ3 LYS A 28 -11.893 -5.862 3.377 1.00 5.06 H new ATOM 418 N HIS A 29 -5.366 -9.207 2.057 1.00 0.68 N ATOM 419 CA HIS A 29 -4.539 -9.716 0.964 1.00 0.83 C ATOM 420 C HIS A 29 -3.690 -10.896 1.453 1.00 0.92 C ATOM 421 O HIS A 29 -2.910 -10.753 2.395 1.00 1.70 O ATOM 422 CB HIS A 29 -3.700 -8.579 0.362 1.00 1.04 C ATOM 423 CG HIS A 29 -4.478 -7.772 -0.645 1.00 0.83 C ATOM 424 ND1 HIS A 29 -4.377 -7.861 -2.017 1.00 1.44 N ATOM 425 CD2 HIS A 29 -5.578 -7.010 -0.364 1.00 0.88 C ATOM 426 CE1 HIS A 29 -5.406 -7.177 -2.540 1.00 1.92 C ATOM 427 NE2 HIS A 29 -6.167 -6.637 -1.572 1.00 1.68 N ATOM 0 H HIS A 29 -5.305 -8.198 2.195 1.00 0.68 H new ATOM 0 HA HIS A 29 -5.174 -10.095 0.163 1.00 0.83 H new ATOM 0 HB2 HIS A 29 -3.353 -7.924 1.161 1.00 1.04 H new ATOM 0 HB3 HIS A 29 -2.814 -8.997 -0.116 1.00 1.04 H new ATOM 0 HD1 HIS A 29 -3.653 -8.356 -2.538 1.00 1.44 H new ATOM 0 HD2 HIS A 29 -5.930 -6.743 0.622 1.00 0.88 H new ATOM 0 HE1 HIS A 29 -5.598 -7.074 -3.598 1.00 1.92 H new ATOM 435 N ARG A 30 -3.885 -12.078 0.854 1.00 1.35 N ATOM 436 CA ARG A 30 -3.349 -13.341 1.348 1.00 1.58 C ATOM 437 C ARG A 30 -1.832 -13.395 1.150 1.00 1.76 C ATOM 438 O ARG A 30 -1.335 -14.052 0.239 1.00 3.14 O ATOM 439 CB ARG A 30 -4.072 -14.514 0.667 1.00 2.02 C ATOM 440 CG ARG A 30 -3.693 -15.854 1.316 1.00 2.54 C ATOM 441 CD ARG A 30 -4.356 -17.026 0.584 1.00 3.14 C ATOM 442 NE ARG A 30 -3.919 -18.308 1.157 1.00 3.67 N ATOM 443 CZ ARG A 30 -4.245 -19.519 0.674 1.00 4.51 C ATOM 444 NH1 ARG A 30 -5.056 -19.615 -0.385 1.00 5.05 N ATOM 445 NH2 ARG A 30 -3.758 -20.623 1.253 1.00 5.40 N ATOM 0 H ARG A 30 -4.430 -12.179 -0.002 1.00 1.35 H new ATOM 0 HA ARG A 30 -3.529 -13.421 2.420 1.00 1.58 H new ATOM 0 HB2 ARG A 30 -5.150 -14.367 0.733 1.00 2.02 H new ATOM 0 HB3 ARG A 30 -3.817 -14.535 -0.393 1.00 2.02 H new ATOM 0 HG2 ARG A 30 -2.610 -15.976 1.300 1.00 2.54 H new ATOM 0 HG3 ARG A 30 -3.998 -15.855 2.362 1.00 2.54 H new ATOM 0 HD2 ARG A 30 -5.440 -16.940 0.656 1.00 3.14 H new ATOM 0 HD3 ARG A 30 -4.103 -16.990 -0.476 1.00 3.14 H new ATOM 0 HE ARG A 30 -3.323 -18.276 1.984 1.00 3.67 H new ATOM 0 HH11 ARG A 30 -5.425 -18.771 -0.823 1.00 5.05 H new ATOM 0 HH12 ARG A 30 -5.306 -20.532 -0.755 1.00 5.05 H new ATOM 0 HH21 ARG A 30 -3.140 -20.545 2.061 1.00 5.40 H new ATOM 0 HH22 ARG A 30 -4.005 -21.542 0.887 1.00 5.40 H new ATOM 459 N GLY A 31 -1.108 -12.703 2.023 1.00 0.84 N ATOM 460 CA GLY A 31 0.335 -12.553 1.964 1.00 0.92 C ATOM 461 C GLY A 31 0.779 -11.226 2.573 1.00 0.88 C ATOM 462 O GLY A 31 1.952 -11.080 2.901 1.00 1.17 O ATOM 0 H GLY A 31 -1.527 -12.216 2.816 1.00 0.84 H new ATOM 0 HA2 GLY A 31 0.811 -13.377 2.496 1.00 0.92 H new ATOM 0 HA3 GLY A 31 0.667 -12.609 0.927 1.00 0.92 H new ATOM 466 N ILE A 32 -0.138 -10.264 2.747 1.00 0.89 N ATOM 467 CA ILE A 32 0.044 -9.127 3.622 1.00 0.80 C ATOM 468 C ILE A 32 0.263 -9.677 5.039 1.00 0.97 C ATOM 469 O ILE A 32 -0.337 -10.679 5.425 1.00 1.52 O ATOM 470 CB ILE A 32 -1.202 -8.214 3.490 1.00 1.05 C ATOM 471 CG1 ILE A 32 -0.895 -6.744 3.167 1.00 0.87 C ATOM 472 CG2 ILE A 32 -2.128 -8.320 4.705 1.00 1.92 C ATOM 473 CD1 ILE A 32 -0.658 -5.947 4.434 1.00 1.47 C ATOM 0 H ILE A 32 -1.039 -10.266 2.269 1.00 0.89 H new ATOM 0 HA ILE A 32 0.910 -8.516 3.366 1.00 0.80 H new ATOM 0 HB ILE A 32 -1.723 -8.605 2.616 1.00 1.05 H new ATOM 0 HG12 ILE A 32 -0.015 -6.685 2.526 1.00 0.87 H new ATOM 0 HG13 ILE A 32 -1.725 -6.309 2.610 1.00 0.87 H new ATOM 0 HG21 ILE A 32 -2.986 -7.663 4.567 1.00 1.92 H new ATOM 0 HG22 ILE A 32 -2.472 -9.349 4.812 1.00 1.92 H new ATOM 0 HG23 ILE A 32 -1.585 -8.024 5.603 1.00 1.92 H new ATOM 0 HD11 ILE A 32 -0.443 -4.910 4.177 1.00 1.47 H new ATOM 0 HD12 ILE A 32 -1.548 -5.988 5.061 1.00 1.47 H new ATOM 0 HD13 ILE A 32 0.188 -6.369 4.977 1.00 1.47 H new ATOM 485 N LEU A 33 1.100 -8.994 5.814 1.00 0.77 N ATOM 486 CA LEU A 33 1.301 -9.212 7.236 1.00 0.97 C ATOM 487 C LEU A 33 0.676 -8.046 8.006 1.00 0.93 C ATOM 488 O LEU A 33 0.003 -8.262 9.010 1.00 1.10 O ATOM 489 CB LEU A 33 2.803 -9.335 7.534 1.00 1.18 C ATOM 490 CG LEU A 33 3.486 -10.502 6.798 1.00 2.02 C ATOM 491 CD1 LEU A 33 5.003 -10.410 6.998 1.00 2.89 C ATOM 492 CD2 LEU A 33 2.984 -11.863 7.292 1.00 2.72 C ATOM 0 H LEU A 33 1.681 -8.240 5.448 1.00 0.77 H new ATOM 0 HA LEU A 33 0.821 -10.139 7.550 1.00 0.97 H new ATOM 0 HB2 LEU A 33 3.297 -8.404 7.257 1.00 1.18 H new ATOM 0 HB3 LEU A 33 2.942 -9.463 8.607 1.00 1.18 H new ATOM 0 HG LEU A 33 3.238 -10.422 5.740 1.00 2.02 H new ATOM 0 HD11 LEU A 33 5.489 -11.235 6.478 1.00 2.89 H new ATOM 0 HD12 LEU A 33 5.366 -9.464 6.597 1.00 2.89 H new ATOM 0 HD13 LEU A 33 5.234 -10.465 8.062 1.00 2.89 H new ATOM 0 HD21 LEU A 33 3.492 -12.658 6.746 1.00 2.72 H new ATOM 0 HD22 LEU A 33 3.193 -11.963 8.357 1.00 2.72 H new ATOM 0 HD23 LEU A 33 1.909 -11.937 7.125 1.00 2.72 H new ATOM 504 N TYR A 34 0.890 -6.808 7.543 1.00 0.81 N ATOM 505 CA TYR A 34 0.388 -5.601 8.189 1.00 0.86 C ATOM 506 C TYR A 34 0.487 -4.441 7.198 1.00 0.71 C ATOM 507 O TYR A 34 1.257 -4.524 6.249 1.00 0.87 O ATOM 508 CB TYR A 34 1.225 -5.322 9.445 1.00 1.00 C ATOM 509 CG TYR A 34 0.799 -4.111 10.249 1.00 1.15 C ATOM 510 CD1 TYR A 34 -0.499 -4.042 10.789 1.00 2.55 C ATOM 511 CD2 TYR A 34 1.703 -3.056 10.469 1.00 1.21 C ATOM 512 CE1 TYR A 34 -0.904 -2.903 11.507 1.00 2.73 C ATOM 513 CE2 TYR A 34 1.321 -1.955 11.253 1.00 1.28 C ATOM 514 CZ TYR A 34 0.004 -1.854 11.727 1.00 1.56 C ATOM 515 OH TYR A 34 -0.377 -0.748 12.425 1.00 1.81 O ATOM 0 H TYR A 34 1.426 -6.620 6.696 1.00 0.81 H new ATOM 0 HA TYR A 34 -0.653 -5.724 8.487 1.00 0.86 H new ATOM 0 HB2 TYR A 34 1.185 -6.199 10.091 1.00 1.00 H new ATOM 0 HB3 TYR A 34 2.266 -5.193 9.147 1.00 1.00 H new ATOM 0 HD1 TYR A 34 -1.185 -4.865 10.652 1.00 2.55 H new ATOM 0 HD2 TYR A 34 2.691 -3.093 10.035 1.00 1.21 H new ATOM 0 HE1 TYR A 34 -1.912 -2.835 11.889 1.00 2.73 H new ATOM 0 HE2 TYR A 34 2.041 -1.186 11.491 1.00 1.28 H new ATOM 0 HH TYR A 34 0.376 -0.123 12.484 1.00 1.81 H new ATOM 525 N CYS A 35 -0.267 -3.363 7.404 1.00 0.64 N ATOM 526 CA CYS A 35 -0.186 -2.129 6.626 1.00 0.59 C ATOM 527 C CYS A 35 -0.176 -0.963 7.599 1.00 0.68 C ATOM 528 O CYS A 35 -0.599 -1.097 8.748 1.00 0.95 O ATOM 529 CB CYS A 35 -1.386 -1.949 5.678 1.00 0.59 C ATOM 530 SG CYS A 35 -2.911 -2.099 6.630 1.00 2.84 S ATOM 0 H CYS A 35 -0.973 -3.323 8.139 1.00 0.64 H new ATOM 0 HA CYS A 35 0.717 -2.173 6.018 1.00 0.59 H new ATOM 0 HB2 CYS A 35 -1.339 -0.974 5.192 1.00 0.59 H new ATOM 0 HB3 CYS A 35 -1.359 -2.700 4.889 1.00 0.59 H new ATOM 0 HG CYS A 35 -2.868 -3.181 7.350 1.00 2.84 H new ATOM 536 N SER A 36 0.282 0.190 7.118 1.00 0.58 N ATOM 537 CA SER A 36 0.007 1.474 7.745 1.00 0.66 C ATOM 538 C SER A 36 0.076 2.538 6.659 1.00 0.62 C ATOM 539 O SER A 36 1.141 2.699 6.057 1.00 0.67 O ATOM 540 CB SER A 36 1.019 1.798 8.851 1.00 0.84 C ATOM 541 OG SER A 36 1.237 0.699 9.710 1.00 1.96 O ATOM 0 H SER A 36 0.857 0.257 6.278 1.00 0.58 H new ATOM 0 HA SER A 36 -0.978 1.443 8.211 1.00 0.66 H new ATOM 0 HB2 SER A 36 1.965 2.098 8.400 1.00 0.84 H new ATOM 0 HB3 SER A 36 0.660 2.647 9.433 1.00 0.84 H new ATOM 0 HG SER A 36 2.130 0.329 9.548 1.00 1.96 H new ATOM 547 N VAL A 37 -1.024 3.241 6.379 1.00 0.62 N ATOM 548 CA VAL A 37 -1.033 4.349 5.457 1.00 0.61 C ATOM 549 C VAL A 37 -1.139 5.689 6.195 1.00 0.61 C ATOM 550 O VAL A 37 -1.694 5.764 7.288 1.00 0.73 O ATOM 551 CB VAL A 37 -2.176 4.078 4.479 1.00 0.72 C ATOM 552 CG1 VAL A 37 -3.510 4.551 5.039 1.00 2.34 C ATOM 553 CG2 VAL A 37 -1.895 4.726 3.137 1.00 1.73 C ATOM 0 H VAL A 37 -1.934 3.045 6.796 1.00 0.62 H new ATOM 0 HA VAL A 37 -0.098 4.432 4.902 1.00 0.61 H new ATOM 0 HB VAL A 37 -2.243 3.000 4.334 1.00 0.72 H new ATOM 0 HG11 VAL A 37 -4.301 4.343 4.319 1.00 2.34 H new ATOM 0 HG12 VAL A 37 -3.720 4.026 5.971 1.00 2.34 H new ATOM 0 HG13 VAL A 37 -3.465 5.623 5.229 1.00 2.34 H new ATOM 0 HG21 VAL A 37 -2.720 4.522 2.454 1.00 1.73 H new ATOM 0 HG22 VAL A 37 -1.790 5.803 3.268 1.00 1.73 H new ATOM 0 HG23 VAL A 37 -0.972 4.320 2.723 1.00 1.73 H new ATOM 563 N ALA A 38 -0.626 6.766 5.593 1.00 0.64 N ATOM 564 CA ALA A 38 -0.838 8.120 6.079 1.00 0.73 C ATOM 565 C ALA A 38 -0.897 9.100 4.913 1.00 0.64 C ATOM 566 O ALA A 38 -0.068 9.052 4.002 1.00 0.58 O ATOM 567 CB ALA A 38 0.258 8.533 7.056 1.00 0.91 C ATOM 0 H ALA A 38 -0.051 6.716 4.752 1.00 0.64 H new ATOM 0 HA ALA A 38 -1.791 8.140 6.608 1.00 0.73 H new ATOM 0 HB1 ALA A 38 0.073 9.550 7.402 1.00 0.91 H new ATOM 0 HB2 ALA A 38 0.260 7.854 7.909 1.00 0.91 H new ATOM 0 HB3 ALA A 38 1.226 8.491 6.556 1.00 0.91 H new ATOM 573 N LEU A 39 -1.877 10.007 4.974 1.00 0.71 N ATOM 574 CA LEU A 39 -2.108 11.005 3.940 1.00 0.69 C ATOM 575 C LEU A 39 -1.049 12.102 4.010 1.00 0.69 C ATOM 576 O LEU A 39 -0.570 12.555 2.977 1.00 0.71 O ATOM 577 CB LEU A 39 -3.556 11.526 3.981 1.00 0.95 C ATOM 578 CG LEU A 39 -3.933 12.402 5.191 1.00 0.86 C ATOM 579 CD1 LEU A 39 -3.702 13.893 4.909 1.00 1.37 C ATOM 580 CD2 LEU A 39 -5.423 12.218 5.506 1.00 1.36 C ATOM 0 H LEU A 39 -2.535 10.065 5.752 1.00 0.71 H new ATOM 0 HA LEU A 39 -1.998 10.540 2.960 1.00 0.69 H new ATOM 0 HB2 LEU A 39 -3.739 12.100 3.073 1.00 0.95 H new ATOM 0 HB3 LEU A 39 -4.229 10.669 3.957 1.00 0.95 H new ATOM 0 HG LEU A 39 -3.304 12.093 6.025 1.00 0.86 H new ATOM 0 HD11 LEU A 39 -3.980 14.477 5.787 1.00 1.37 H new ATOM 0 HD12 LEU A 39 -2.650 14.061 4.680 1.00 1.37 H new ATOM 0 HD13 LEU A 39 -4.312 14.202 4.060 1.00 1.37 H new ATOM 0 HD21 LEU A 39 -5.693 12.837 6.362 1.00 1.36 H new ATOM 0 HD22 LEU A 39 -6.017 12.515 4.642 1.00 1.36 H new ATOM 0 HD23 LEU A 39 -5.619 11.171 5.739 1.00 1.36 H new ATOM 592 N ALA A 40 -0.635 12.487 5.224 1.00 0.81 N ATOM 593 CA ALA A 40 0.374 13.521 5.432 1.00 0.95 C ATOM 594 C ALA A 40 1.679 13.149 4.727 1.00 0.95 C ATOM 595 O ALA A 40 2.265 13.955 4.011 1.00 1.09 O ATOM 596 CB ALA A 40 0.596 13.724 6.933 1.00 1.15 C ATOM 0 H ALA A 40 -0.995 12.085 6.090 1.00 0.81 H new ATOM 0 HA ALA A 40 0.023 14.458 5.001 1.00 0.95 H new ATOM 0 HB1 ALA A 40 1.350 14.496 7.088 1.00 1.15 H new ATOM 0 HB2 ALA A 40 -0.339 14.031 7.401 1.00 1.15 H new ATOM 0 HB3 ALA A 40 0.936 12.790 7.380 1.00 1.15 H new ATOM 602 N THR A 41 2.117 11.902 4.910 1.00 0.90 N ATOM 603 CA THR A 41 3.284 11.341 4.251 1.00 0.95 C ATOM 604 C THR A 41 2.972 10.973 2.791 1.00 0.77 C ATOM 605 O THR A 41 3.873 10.626 2.033 1.00 0.84 O ATOM 606 CB THR A 41 3.698 10.095 5.049 1.00 1.14 C ATOM 607 OG1 THR A 41 3.382 10.273 6.418 1.00 2.38 O ATOM 608 CG2 THR A 41 5.196 9.808 4.926 1.00 1.56 C ATOM 0 H THR A 41 1.655 11.243 5.537 1.00 0.90 H new ATOM 0 HA THR A 41 4.093 12.071 4.225 1.00 0.95 H new ATOM 0 HB THR A 41 3.149 9.249 4.635 1.00 1.14 H new ATOM 0 HG1 THR A 41 3.647 9.475 6.921 1.00 2.38 H new ATOM 0 HG21 THR A 41 5.445 8.919 5.506 1.00 1.56 H new ATOM 0 HG22 THR A 41 5.450 9.642 3.879 1.00 1.56 H new ATOM 0 HG23 THR A 41 5.762 10.659 5.306 1.00 1.56 H new ATOM 616 N ASN A 42 1.687 10.994 2.423 1.00 0.66 N ATOM 617 CA ASN A 42 1.126 10.454 1.199 1.00 0.66 C ATOM 618 C ASN A 42 1.651 9.046 0.909 1.00 0.62 C ATOM 619 O ASN A 42 1.933 8.712 -0.238 1.00 0.72 O ATOM 620 CB ASN A 42 1.340 11.431 0.032 1.00 0.82 C ATOM 621 CG ASN A 42 0.547 10.989 -1.192 1.00 1.83 C ATOM 622 OD1 ASN A 42 1.095 10.766 -2.267 1.00 2.67 O ATOM 623 ND2 ASN A 42 -0.760 10.828 -1.025 1.00 2.95 N ATOM 0 H ASN A 42 0.973 11.417 3.016 1.00 0.66 H new ATOM 0 HA ASN A 42 0.049 10.345 1.329 1.00 0.66 H new ATOM 0 HB2 ASN A 42 1.032 12.433 0.329 1.00 0.82 H new ATOM 0 HB3 ASN A 42 2.400 11.484 -0.215 1.00 0.82 H new ATOM 0 HD21 ASN A 42 -1.338 10.511 -1.803 1.00 2.95 H new ATOM 0 HD22 ASN A 42 -1.186 11.022 -0.119 1.00 2.95 H new ATOM 630 N LYS A 43 1.779 8.211 1.945 1.00 0.61 N ATOM 631 CA LYS A 43 2.506 6.950 1.849 1.00 0.63 C ATOM 632 C LYS A 43 1.698 5.803 2.446 1.00 0.62 C ATOM 633 O LYS A 43 1.037 5.997 3.463 1.00 0.71 O ATOM 634 CB LYS A 43 3.869 7.083 2.547 1.00 0.73 C ATOM 635 CG LYS A 43 4.845 6.003 2.064 1.00 1.11 C ATOM 636 CD LYS A 43 5.908 5.639 3.102 1.00 0.92 C ATOM 637 CE LYS A 43 7.015 6.687 3.262 1.00 1.11 C ATOM 638 NZ LYS A 43 8.179 6.113 3.970 1.00 1.63 N ATOM 0 H LYS A 43 1.382 8.392 2.867 1.00 0.61 H new ATOM 0 HA LYS A 43 2.670 6.720 0.796 1.00 0.63 H new ATOM 0 HB2 LYS A 43 4.287 8.070 2.350 1.00 0.73 H new ATOM 0 HB3 LYS A 43 3.738 7.002 3.626 1.00 0.73 H new ATOM 0 HG2 LYS A 43 4.283 5.107 1.800 1.00 1.11 H new ATOM 0 HG3 LYS A 43 5.338 6.349 1.155 1.00 1.11 H new ATOM 0 HD2 LYS A 43 5.422 5.490 4.066 1.00 0.92 H new ATOM 0 HD3 LYS A 43 6.361 4.688 2.823 1.00 0.92 H new ATOM 0 HE2 LYS A 43 7.323 7.051 2.282 1.00 1.11 H new ATOM 0 HE3 LYS A 43 6.633 7.545 3.815 1.00 1.11 H new ATOM 0 HZ1 LYS A 43 8.702 6.872 4.451 1.00 1.63 H new ATOM 0 HZ2 LYS A 43 7.851 5.420 4.672 1.00 1.63 H new ATOM 0 HZ3 LYS A 43 8.805 5.643 3.285 1.00 1.63 H new ATOM 652 N ALA A 44 1.802 4.612 1.844 1.00 0.62 N ATOM 653 CA ALA A 44 1.547 3.344 2.511 1.00 0.68 C ATOM 654 C ALA A 44 2.884 2.672 2.789 1.00 0.72 C ATOM 655 O ALA A 44 3.731 2.629 1.893 1.00 0.83 O ATOM 656 CB ALA A 44 0.675 2.419 1.651 1.00 0.86 C ATOM 0 H ALA A 44 2.070 4.508 0.865 1.00 0.62 H new ATOM 0 HA ALA A 44 1.008 3.536 3.439 1.00 0.68 H new ATOM 0 HB1 ALA A 44 0.506 1.482 2.181 1.00 0.86 H new ATOM 0 HB2 ALA A 44 -0.282 2.902 1.453 1.00 0.86 H new ATOM 0 HB3 ALA A 44 1.181 2.215 0.707 1.00 0.86 H new ATOM 662 N HIS A 45 3.051 2.108 3.989 1.00 0.72 N ATOM 663 CA HIS A 45 3.906 0.942 4.129 1.00 0.72 C ATOM 664 C HIS A 45 3.013 -0.284 4.083 1.00 0.58 C ATOM 665 O HIS A 45 1.894 -0.263 4.607 1.00 0.56 O ATOM 666 CB HIS A 45 4.807 0.992 5.375 1.00 0.95 C ATOM 667 CG HIS A 45 4.291 0.347 6.642 1.00 0.99 C ATOM 668 ND1 HIS A 45 4.015 -0.988 6.823 1.00 1.29 N flip ATOM 669 CD2 HIS A 45 4.374 0.915 7.890 1.00 1.03 C flip ATOM 670 CE1 HIS A 45 3.911 -1.230 8.194 1.00 1.46 C flip ATOM 671 NE2 HIS A 45 4.126 -0.049 8.793 1.00 1.31 N flip ATOM 0 H HIS A 45 2.616 2.434 4.852 1.00 0.72 H new ATOM 0 HA HIS A 45 4.619 0.909 3.305 1.00 0.72 H new ATOM 0 HB2 HIS A 45 5.757 0.521 5.121 1.00 0.95 H new ATOM 0 HB3 HIS A 45 5.019 2.039 5.594 1.00 0.95 H new ATOM 0 HD2 HIS A 45 4.598 1.949 8.106 1.00 1.03 H new ATOM 0 HE1 HIS A 45 3.701 -2.174 8.674 1.00 1.46 H new ATOM 0 HE2 HIS A 45 4.104 0.098 9.802 1.00 1.31 H new ATOM 679 N ILE A 46 3.540 -1.354 3.493 1.00 0.58 N ATOM 680 CA ILE A 46 2.975 -2.683 3.557 1.00 0.53 C ATOM 681 C ILE A 46 4.068 -3.609 4.066 1.00 0.57 C ATOM 682 O ILE A 46 5.197 -3.579 3.584 1.00 0.67 O ATOM 683 CB ILE A 46 2.464 -3.094 2.172 1.00 0.54 C ATOM 684 CG1 ILE A 46 1.169 -2.317 1.894 1.00 0.84 C ATOM 685 CG2 ILE A 46 2.228 -4.604 2.087 1.00 0.64 C ATOM 686 CD1 ILE A 46 0.664 -2.501 0.466 1.00 2.02 C ATOM 0 H ILE A 46 4.398 -1.310 2.943 1.00 0.58 H new ATOM 0 HA ILE A 46 2.120 -2.729 4.232 1.00 0.53 H new ATOM 0 HB ILE A 46 3.214 -2.854 1.418 1.00 0.54 H new ATOM 0 HG12 ILE A 46 0.398 -2.643 2.592 1.00 0.84 H new ATOM 0 HG13 ILE A 46 1.340 -1.257 2.080 1.00 0.84 H new ATOM 0 HG21 ILE A 46 1.866 -4.860 1.091 1.00 0.64 H new ATOM 0 HG22 ILE A 46 3.163 -5.130 2.280 1.00 0.64 H new ATOM 0 HG23 ILE A 46 1.486 -4.899 2.830 1.00 0.64 H new ATOM 0 HD11 ILE A 46 -0.253 -1.929 0.328 1.00 2.02 H new ATOM 0 HD12 ILE A 46 1.420 -2.149 -0.236 1.00 2.02 H new ATOM 0 HD13 ILE A 46 0.464 -3.557 0.284 1.00 2.02 H new ATOM 698 N LYS A 47 3.705 -4.434 5.038 1.00 0.59 N ATOM 699 CA LYS A 47 4.411 -5.641 5.397 1.00 0.67 C ATOM 700 C LYS A 47 3.680 -6.764 4.680 1.00 0.63 C ATOM 701 O LYS A 47 2.457 -6.827 4.764 1.00 1.01 O ATOM 702 CB LYS A 47 4.438 -5.844 6.911 1.00 0.86 C ATOM 703 CG LYS A 47 4.990 -4.600 7.608 1.00 0.95 C ATOM 704 CD LYS A 47 5.439 -4.953 9.030 1.00 1.33 C ATOM 705 CE LYS A 47 5.931 -3.694 9.757 1.00 1.63 C ATOM 706 NZ LYS A 47 6.390 -3.988 11.128 1.00 2.63 N ATOM 0 H LYS A 47 2.880 -4.269 5.615 1.00 0.59 H new ATOM 0 HA LYS A 47 5.459 -5.602 5.099 1.00 0.67 H new ATOM 0 HB2 LYS A 47 3.432 -6.055 7.274 1.00 0.86 H new ATOM 0 HB3 LYS A 47 5.054 -6.709 7.157 1.00 0.86 H new ATOM 0 HG2 LYS A 47 5.830 -4.198 7.042 1.00 0.95 H new ATOM 0 HG3 LYS A 47 4.227 -3.823 7.641 1.00 0.95 H new ATOM 0 HD2 LYS A 47 4.611 -5.400 9.580 1.00 1.33 H new ATOM 0 HD3 LYS A 47 6.236 -5.696 8.994 1.00 1.33 H new ATOM 0 HE2 LYS A 47 6.747 -3.244 9.191 1.00 1.63 H new ATOM 0 HE3 LYS A 47 5.126 -2.960 9.794 1.00 1.63 H new ATOM 0 HZ1 LYS A 47 6.713 -3.110 11.582 1.00 2.63 H new ATOM 0 HZ2 LYS A 47 5.605 -4.393 11.677 1.00 2.63 H new ATOM 0 HZ3 LYS A 47 7.175 -4.669 11.093 1.00 2.63 H new ATOM 720 N TYR A 48 4.399 -7.608 3.950 1.00 0.65 N ATOM 721 CA TYR A 48 3.871 -8.692 3.146 1.00 0.57 C ATOM 722 C TYR A 48 5.023 -9.611 2.743 1.00 0.59 C ATOM 723 O TYR A 48 6.176 -9.176 2.752 1.00 0.67 O ATOM 724 CB TYR A 48 3.141 -8.170 1.897 1.00 0.54 C ATOM 725 CG TYR A 48 4.023 -7.831 0.709 1.00 0.66 C ATOM 726 CD1 TYR A 48 5.002 -6.826 0.798 1.00 1.56 C ATOM 727 CD2 TYR A 48 3.899 -8.577 -0.477 1.00 2.28 C ATOM 728 CE1 TYR A 48 5.805 -6.530 -0.316 1.00 1.56 C ATOM 729 CE2 TYR A 48 4.658 -8.236 -1.607 1.00 2.43 C ATOM 730 CZ TYR A 48 5.596 -7.197 -1.532 1.00 1.08 C ATOM 731 OH TYR A 48 6.347 -6.889 -2.627 1.00 1.38 O ATOM 0 H TYR A 48 5.416 -7.548 3.904 1.00 0.65 H new ATOM 0 HA TYR A 48 3.140 -9.244 3.738 1.00 0.57 H new ATOM 0 HB2 TYR A 48 2.415 -8.920 1.584 1.00 0.54 H new ATOM 0 HB3 TYR A 48 2.579 -7.278 2.174 1.00 0.54 H new ATOM 0 HD1 TYR A 48 5.137 -6.282 1.721 1.00 1.56 H new ATOM 0 HD2 TYR A 48 3.218 -9.414 -0.518 1.00 2.28 H new ATOM 0 HE1 TYR A 48 6.585 -5.787 -0.236 1.00 1.56 H new ATOM 0 HE2 TYR A 48 4.520 -8.773 -2.533 1.00 2.43 H new ATOM 0 HH TYR A 48 7.234 -6.586 -2.341 1.00 1.38 H new ATOM 741 N ASP A 49 4.712 -10.844 2.337 1.00 0.66 N ATOM 742 CA ASP A 49 5.698 -11.803 1.855 1.00 0.69 C ATOM 743 C ASP A 49 5.734 -11.771 0.320 1.00 0.73 C ATOM 744 O ASP A 49 4.801 -12.264 -0.320 1.00 0.90 O ATOM 745 CB ASP A 49 5.338 -13.209 2.351 1.00 0.84 C ATOM 746 CG ASP A 49 5.316 -13.308 3.869 1.00 2.12 C ATOM 747 OD1 ASP A 49 6.360 -12.986 4.476 1.00 3.10 O ATOM 748 OD2 ASP A 49 4.252 -13.705 4.393 1.00 3.36 O ATOM 0 H ASP A 49 3.758 -11.205 2.335 1.00 0.66 H new ATOM 0 HA ASP A 49 6.684 -11.539 2.238 1.00 0.69 H new ATOM 0 HB2 ASP A 49 4.360 -13.489 1.958 1.00 0.84 H new ATOM 0 HB3 ASP A 49 6.058 -13.925 1.955 1.00 0.84 H new ATOM 753 N PRO A 50 6.797 -11.254 -0.323 1.00 0.74 N ATOM 754 CA PRO A 50 6.852 -11.127 -1.777 1.00 0.86 C ATOM 755 C PRO A 50 7.154 -12.454 -2.491 1.00 0.96 C ATOM 756 O PRO A 50 7.726 -12.440 -3.579 1.00 1.61 O ATOM 757 CB PRO A 50 7.950 -10.086 -2.028 1.00 0.86 C ATOM 758 CG PRO A 50 8.922 -10.340 -0.880 1.00 0.82 C ATOM 759 CD PRO A 50 7.987 -10.674 0.283 1.00 0.76 C ATOM 0 HA PRO A 50 5.886 -10.827 -2.183 1.00 0.86 H new ATOM 0 HB2 PRO A 50 8.425 -10.225 -2.999 1.00 0.86 H new ATOM 0 HB3 PRO A 50 7.557 -9.070 -2.008 1.00 0.86 H new ATOM 0 HG2 PRO A 50 9.604 -11.161 -1.101 1.00 0.82 H new ATOM 0 HG3 PRO A 50 9.536 -9.465 -0.668 1.00 0.82 H new ATOM 0 HD2 PRO A 50 8.456 -11.375 0.974 1.00 0.76 H new ATOM 0 HD3 PRO A 50 7.739 -9.780 0.855 1.00 0.76 H new ATOM 767 N GLU A 51 6.763 -13.593 -1.907 1.00 1.21 N ATOM 768 CA GLU A 51 7.035 -14.928 -2.429 1.00 1.30 C ATOM 769 C GLU A 51 5.731 -15.714 -2.639 1.00 1.45 C ATOM 770 O GLU A 51 5.761 -16.865 -3.068 1.00 2.18 O ATOM 771 CB GLU A 51 8.013 -15.627 -1.471 1.00 1.33 C ATOM 772 CG GLU A 51 8.802 -16.764 -2.138 1.00 2.49 C ATOM 773 CD GLU A 51 9.895 -17.311 -1.225 1.00 2.73 C ATOM 774 OE1 GLU A 51 9.647 -17.356 -0.002 1.00 3.16 O ATOM 775 OE2 GLU A 51 10.960 -17.669 -1.772 1.00 3.48 O ATOM 0 H GLU A 51 6.235 -13.607 -1.035 1.00 1.21 H new ATOM 0 HA GLU A 51 7.500 -14.868 -3.413 1.00 1.30 H new ATOM 0 HB2 GLU A 51 8.713 -14.891 -1.075 1.00 1.33 H new ATOM 0 HB3 GLU A 51 7.458 -16.027 -0.623 1.00 1.33 H new ATOM 0 HG2 GLU A 51 8.119 -17.569 -2.409 1.00 2.49 H new ATOM 0 HG3 GLU A 51 9.250 -16.401 -3.063 1.00 2.49 H new ATOM 782 N ILE A 52 4.574 -15.096 -2.359 1.00 1.06 N ATOM 783 CA ILE A 52 3.267 -15.713 -2.544 1.00 1.10 C ATOM 784 C ILE A 52 2.345 -14.786 -3.336 1.00 1.07 C ATOM 785 O ILE A 52 1.982 -15.089 -4.470 1.00 1.23 O ATOM 786 CB ILE A 52 2.671 -16.184 -1.195 1.00 1.09 C ATOM 787 CG1 ILE A 52 3.068 -15.297 0.004 1.00 0.91 C ATOM 788 CG2 ILE A 52 3.111 -17.633 -0.940 1.00 1.47 C ATOM 789 CD1 ILE A 52 2.267 -15.631 1.267 1.00 1.00 C ATOM 0 H ILE A 52 4.527 -14.145 -1.995 1.00 1.06 H new ATOM 0 HA ILE A 52 3.381 -16.617 -3.142 1.00 1.10 H new ATOM 0 HB ILE A 52 1.587 -16.109 -1.279 1.00 1.09 H new ATOM 0 HG12 ILE A 52 4.132 -15.421 0.208 1.00 0.91 H new ATOM 0 HG13 ILE A 52 2.913 -14.250 -0.255 1.00 0.91 H new ATOM 0 HG21 ILE A 52 2.698 -17.977 0.008 1.00 1.47 H new ATOM 0 HG22 ILE A 52 2.749 -18.270 -1.747 1.00 1.47 H new ATOM 0 HG23 ILE A 52 4.199 -17.681 -0.900 1.00 1.47 H new ATOM 0 HD11 ILE A 52 2.584 -14.980 2.082 1.00 1.00 H new ATOM 0 HD12 ILE A 52 1.205 -15.481 1.074 1.00 1.00 H new ATOM 0 HD13 ILE A 52 2.442 -16.670 1.545 1.00 1.00 H new ATOM 801 N ILE A 53 1.958 -13.661 -2.741 1.00 1.04 N ATOM 802 CA ILE A 53 1.001 -12.735 -3.333 1.00 1.02 C ATOM 803 C ILE A 53 1.689 -11.849 -4.374 1.00 0.96 C ATOM 804 O ILE A 53 1.237 -11.723 -5.510 1.00 1.07 O ATOM 805 CB ILE A 53 0.294 -11.959 -2.211 1.00 1.03 C ATOM 806 CG1 ILE A 53 -0.860 -11.126 -2.776 1.00 1.26 C ATOM 807 CG2 ILE A 53 1.209 -11.060 -1.365 1.00 0.94 C ATOM 808 CD1 ILE A 53 -2.018 -11.115 -1.775 1.00 1.72 C ATOM 0 H ILE A 53 2.303 -13.365 -1.828 1.00 1.04 H new ATOM 0 HA ILE A 53 0.226 -13.273 -3.880 1.00 1.02 H new ATOM 0 HB ILE A 53 -0.078 -12.728 -1.535 1.00 1.03 H new ATOM 0 HG12 ILE A 53 -0.525 -10.107 -2.973 1.00 1.26 H new ATOM 0 HG13 ILE A 53 -1.191 -11.542 -3.727 1.00 1.26 H new ATOM 0 HG21 ILE A 53 0.618 -10.555 -0.601 1.00 0.94 H new ATOM 0 HG22 ILE A 53 1.976 -11.669 -0.887 1.00 0.94 H new ATOM 0 HG23 ILE A 53 1.683 -10.317 -2.006 1.00 0.94 H new ATOM 0 HD11 ILE A 53 -2.840 -10.522 -2.176 1.00 1.72 H new ATOM 0 HD12 ILE A 53 -2.358 -12.136 -1.601 1.00 1.72 H new ATOM 0 HD13 ILE A 53 -1.682 -10.679 -0.834 1.00 1.72 H new ATOM 820 N GLY A 54 2.820 -11.271 -3.977 1.00 0.97 N ATOM 821 CA GLY A 54 3.677 -10.482 -4.841 1.00 0.96 C ATOM 822 C GLY A 54 3.222 -9.022 -4.920 1.00 0.89 C ATOM 823 O GLY A 54 2.085 -8.693 -4.581 1.00 0.87 O ATOM 0 H GLY A 54 3.169 -11.343 -3.021 1.00 0.97 H new ATOM 0 HA2 GLY A 54 4.702 -10.523 -4.471 1.00 0.96 H new ATOM 0 HA3 GLY A 54 3.681 -10.915 -5.841 1.00 0.96 H new ATOM 827 N PRO A 55 4.119 -8.126 -5.356 1.00 0.90 N ATOM 828 CA PRO A 55 3.854 -6.698 -5.434 1.00 0.90 C ATOM 829 C PRO A 55 2.756 -6.381 -6.450 1.00 0.94 C ATOM 830 O PRO A 55 1.993 -5.442 -6.249 1.00 0.90 O ATOM 831 CB PRO A 55 5.188 -6.052 -5.826 1.00 1.00 C ATOM 832 CG PRO A 55 5.954 -7.178 -6.522 1.00 1.05 C ATOM 833 CD PRO A 55 5.476 -8.427 -5.781 1.00 0.97 C ATOM 0 HA PRO A 55 3.487 -6.311 -4.483 1.00 0.90 H new ATOM 0 HB2 PRO A 55 5.039 -5.201 -6.490 1.00 1.00 H new ATOM 0 HB3 PRO A 55 5.726 -5.684 -4.952 1.00 1.00 H new ATOM 0 HG2 PRO A 55 5.722 -7.226 -7.586 1.00 1.05 H new ATOM 0 HG3 PRO A 55 7.033 -7.046 -6.436 1.00 1.05 H new ATOM 0 HD2 PRO A 55 5.500 -9.302 -6.430 1.00 0.97 H new ATOM 0 HD3 PRO A 55 6.116 -8.646 -4.926 1.00 0.97 H new ATOM 841 N ARG A 56 2.692 -7.139 -7.551 1.00 1.03 N ATOM 842 CA ARG A 56 1.761 -6.897 -8.647 1.00 1.08 C ATOM 843 C ARG A 56 0.318 -6.806 -8.141 1.00 0.99 C ATOM 844 O ARG A 56 -0.325 -5.778 -8.334 1.00 0.90 O ATOM 845 CB ARG A 56 1.932 -7.985 -9.720 1.00 1.21 C ATOM 846 CG ARG A 56 3.244 -7.802 -10.497 1.00 1.66 C ATOM 847 CD ARG A 56 3.108 -6.773 -11.632 1.00 2.12 C ATOM 848 NE ARG A 56 2.697 -7.405 -12.900 1.00 3.19 N ATOM 849 CZ ARG A 56 2.261 -6.748 -13.990 1.00 4.42 C ATOM 850 NH1 ARG A 56 1.714 -5.534 -13.881 1.00 5.20 N ATOM 851 NH2 ARG A 56 2.374 -7.317 -15.196 1.00 5.65 N ATOM 0 H ARG A 56 3.296 -7.947 -7.703 1.00 1.03 H new ATOM 0 HA ARG A 56 1.989 -5.933 -9.102 1.00 1.08 H new ATOM 0 HB2 ARG A 56 1.920 -8.968 -9.249 1.00 1.21 H new ATOM 0 HB3 ARG A 56 1.090 -7.952 -10.411 1.00 1.21 H new ATOM 0 HG2 ARG A 56 4.029 -7.483 -9.811 1.00 1.66 H new ATOM 0 HG3 ARG A 56 3.555 -8.760 -10.913 1.00 1.66 H new ATOM 0 HD2 ARG A 56 2.377 -6.016 -11.350 1.00 2.12 H new ATOM 0 HD3 ARG A 56 4.059 -6.260 -11.773 1.00 2.12 H new ATOM 0 HE ARG A 56 2.747 -8.422 -12.955 1.00 3.19 H new ATOM 0 HH11 ARG A 56 1.623 -5.096 -12.964 1.00 5.20 H new ATOM 0 HH12 ARG A 56 1.387 -5.045 -14.714 1.00 5.20 H new ATOM 0 HH21 ARG A 56 2.789 -8.244 -15.285 1.00 5.65 H new ATOM 0 HH22 ARG A 56 2.045 -6.823 -16.026 1.00 5.65 H new ATOM 865 N ASP A 57 -0.176 -7.868 -7.494 1.00 1.03 N ATOM 866 CA ASP A 57 -1.511 -7.921 -6.899 1.00 0.94 C ATOM 867 C ASP A 57 -1.809 -6.638 -6.121 1.00 0.82 C ATOM 868 O ASP A 57 -2.768 -5.916 -6.399 1.00 0.75 O ATOM 869 CB ASP A 57 -1.582 -9.137 -5.962 1.00 0.97 C ATOM 870 CG ASP A 57 -2.816 -9.082 -5.073 1.00 1.78 C ATOM 871 OD1 ASP A 57 -3.891 -9.483 -5.560 1.00 2.81 O ATOM 872 OD2 ASP A 57 -2.668 -8.619 -3.920 1.00 2.71 O ATOM 0 H ASP A 57 0.354 -8.730 -7.368 1.00 1.03 H new ATOM 0 HA ASP A 57 -2.257 -8.014 -7.689 1.00 0.94 H new ATOM 0 HB2 ASP A 57 -1.598 -10.053 -6.553 1.00 0.97 H new ATOM 0 HB3 ASP A 57 -0.686 -9.173 -5.342 1.00 0.97 H new ATOM 877 N ILE A 58 -0.936 -6.360 -5.157 1.00 0.83 N ATOM 878 CA ILE A 58 -1.043 -5.231 -4.256 1.00 0.80 C ATOM 879 C ILE A 58 -1.131 -3.933 -5.059 1.00 0.76 C ATOM 880 O ILE A 58 -2.131 -3.225 -4.975 1.00 0.74 O ATOM 881 CB ILE A 58 0.136 -5.289 -3.267 1.00 0.87 C ATOM 882 CG1 ILE A 58 -0.085 -6.478 -2.310 1.00 0.92 C ATOM 883 CG2 ILE A 58 0.287 -3.980 -2.485 1.00 0.88 C ATOM 884 CD1 ILE A 58 1.165 -6.848 -1.510 1.00 1.04 C ATOM 0 H ILE A 58 -0.112 -6.935 -4.981 1.00 0.83 H new ATOM 0 HA ILE A 58 -1.958 -5.268 -3.665 1.00 0.80 H new ATOM 0 HB ILE A 58 1.062 -5.427 -3.825 1.00 0.87 H new ATOM 0 HG12 ILE A 58 -0.892 -6.235 -1.619 1.00 0.92 H new ATOM 0 HG13 ILE A 58 -0.409 -7.344 -2.886 1.00 0.92 H new ATOM 0 HG21 ILE A 58 1.129 -4.062 -1.798 1.00 0.88 H new ATOM 0 HG22 ILE A 58 0.464 -3.159 -3.180 1.00 0.88 H new ATOM 0 HG23 ILE A 58 -0.625 -3.787 -1.920 1.00 0.88 H new ATOM 0 HD11 ILE A 58 0.942 -7.691 -0.856 1.00 1.04 H new ATOM 0 HD12 ILE A 58 1.967 -7.122 -2.195 1.00 1.04 H new ATOM 0 HD13 ILE A 58 1.477 -5.995 -0.908 1.00 1.04 H new ATOM 896 N ILE A 59 -0.103 -3.611 -5.844 1.00 0.76 N ATOM 897 CA ILE A 59 -0.043 -2.361 -6.588 1.00 0.73 C ATOM 898 C ILE A 59 -1.246 -2.221 -7.531 1.00 0.65 C ATOM 899 O ILE A 59 -1.846 -1.150 -7.586 1.00 0.63 O ATOM 900 CB ILE A 59 1.344 -2.209 -7.251 1.00 0.75 C ATOM 901 CG1 ILE A 59 2.317 -1.621 -6.215 1.00 1.01 C ATOM 902 CG2 ILE A 59 1.314 -1.376 -8.540 1.00 0.96 C ATOM 903 CD1 ILE A 59 3.785 -1.702 -6.643 1.00 1.41 C ATOM 0 H ILE A 59 0.710 -4.212 -5.979 1.00 0.76 H new ATOM 0 HA ILE A 59 -0.136 -1.511 -5.912 1.00 0.73 H new ATOM 0 HB ILE A 59 1.684 -3.196 -7.565 1.00 0.75 H new ATOM 0 HG12 ILE A 59 2.056 -0.578 -6.034 1.00 1.01 H new ATOM 0 HG13 ILE A 59 2.192 -2.149 -5.270 1.00 1.01 H new ATOM 0 HG21 ILE A 59 2.320 -1.309 -8.953 1.00 0.96 H new ATOM 0 HG22 ILE A 59 0.655 -1.852 -9.266 1.00 0.96 H new ATOM 0 HG23 ILE A 59 0.946 -0.374 -8.318 1.00 0.96 H new ATOM 0 HD11 ILE A 59 4.415 -1.269 -5.866 1.00 1.41 H new ATOM 0 HD12 ILE A 59 4.062 -2.745 -6.796 1.00 1.41 H new ATOM 0 HD13 ILE A 59 3.924 -1.149 -7.572 1.00 1.41 H new ATOM 915 N HIS A 60 -1.640 -3.288 -8.235 1.00 0.65 N ATOM 916 CA HIS A 60 -2.825 -3.257 -9.089 1.00 0.64 C ATOM 917 C HIS A 60 -4.057 -2.897 -8.259 1.00 0.50 C ATOM 918 O HIS A 60 -4.860 -2.048 -8.650 1.00 0.46 O ATOM 919 CB HIS A 60 -3.057 -4.615 -9.766 1.00 0.84 C ATOM 920 CG HIS A 60 -1.958 -5.113 -10.671 1.00 1.43 C ATOM 921 ND1 HIS A 60 -1.879 -6.395 -11.161 1.00 3.36 N ATOM 922 CD2 HIS A 60 -0.848 -4.433 -11.103 1.00 1.49 C ATOM 923 CE1 HIS A 60 -0.750 -6.482 -11.880 1.00 3.51 C ATOM 924 NE2 HIS A 60 -0.080 -5.316 -11.872 1.00 2.23 N ATOM 0 H HIS A 60 -1.152 -4.184 -8.228 1.00 0.65 H new ATOM 0 HA HIS A 60 -2.661 -2.504 -9.860 1.00 0.64 H new ATOM 0 HB2 HIS A 60 -3.222 -5.360 -8.988 1.00 0.84 H new ATOM 0 HB3 HIS A 60 -3.976 -4.553 -10.348 1.00 0.84 H new ATOM 0 HD1 HIS A 60 -2.555 -7.143 -11.006 1.00 3.36 H new ATOM 0 HD2 HIS A 60 -0.609 -3.402 -10.889 1.00 1.49 H new ATOM 0 HE1 HIS A 60 -0.422 -7.372 -12.397 1.00 3.51 H new ATOM 932 N THR A 61 -4.207 -3.546 -7.103 1.00 0.56 N ATOM 933 CA THR A 61 -5.315 -3.250 -6.215 1.00 0.52 C ATOM 934 C THR A 61 -5.271 -1.776 -5.823 1.00 0.42 C ATOM 935 O THR A 61 -6.236 -1.064 -6.065 1.00 0.46 O ATOM 936 CB THR A 61 -5.325 -4.192 -5.005 1.00 0.65 C ATOM 937 OG1 THR A 61 -5.354 -5.523 -5.475 1.00 0.77 O ATOM 938 CG2 THR A 61 -6.571 -3.961 -4.139 1.00 0.75 C ATOM 0 H THR A 61 -3.576 -4.274 -6.768 1.00 0.56 H new ATOM 0 HA THR A 61 -6.257 -3.427 -6.735 1.00 0.52 H new ATOM 0 HB THR A 61 -4.436 -4.000 -4.404 1.00 0.65 H new ATOM 0 HG1 THR A 61 -4.469 -5.769 -5.816 1.00 0.77 H new ATOM 0 HG21 THR A 61 -6.554 -4.642 -3.288 1.00 0.75 H new ATOM 0 HG22 THR A 61 -6.579 -2.932 -3.781 1.00 0.75 H new ATOM 0 HG23 THR A 61 -7.466 -4.146 -4.733 1.00 0.75 H new ATOM 946 N ILE A 62 -4.173 -1.300 -5.231 1.00 0.45 N ATOM 947 CA ILE A 62 -4.101 0.062 -4.718 1.00 0.50 C ATOM 948 C ILE A 62 -4.286 1.097 -5.833 1.00 0.51 C ATOM 949 O ILE A 62 -4.917 2.125 -5.596 1.00 0.61 O ATOM 950 CB ILE A 62 -2.830 0.271 -3.874 1.00 0.70 C ATOM 951 CG1 ILE A 62 -2.699 -0.760 -2.735 1.00 0.83 C ATOM 952 CG2 ILE A 62 -2.817 1.682 -3.271 1.00 0.88 C ATOM 953 CD1 ILE A 62 -4.005 -1.029 -1.984 1.00 1.83 C ATOM 0 H ILE A 62 -3.320 -1.844 -5.097 1.00 0.45 H new ATOM 0 HA ILE A 62 -4.939 0.220 -4.039 1.00 0.50 H new ATOM 0 HB ILE A 62 -1.984 0.138 -4.548 1.00 0.70 H new ATOM 0 HG12 ILE A 62 -2.330 -1.698 -3.149 1.00 0.83 H new ATOM 0 HG13 ILE A 62 -1.950 -0.409 -2.025 1.00 0.83 H new ATOM 0 HG21 ILE A 62 -1.913 1.816 -2.677 1.00 0.88 H new ATOM 0 HG22 ILE A 62 -2.837 2.420 -4.073 1.00 0.88 H new ATOM 0 HG23 ILE A 62 -3.692 1.814 -2.635 1.00 0.88 H new ATOM 0 HD11 ILE A 62 -3.829 -1.765 -1.199 1.00 1.83 H new ATOM 0 HD12 ILE A 62 -4.366 -0.102 -1.538 1.00 1.83 H new ATOM 0 HD13 ILE A 62 -4.752 -1.412 -2.679 1.00 1.83 H new ATOM 965 N GLU A 63 -3.792 0.827 -7.044 1.00 0.51 N ATOM 966 CA GLU A 63 -4.115 1.607 -8.218 1.00 0.57 C ATOM 967 C GLU A 63 -5.639 1.700 -8.361 1.00 0.59 C ATOM 968 O GLU A 63 -6.236 2.752 -8.114 1.00 0.83 O ATOM 969 CB GLU A 63 -3.394 0.947 -9.398 1.00 0.58 C ATOM 970 CG GLU A 63 -3.604 1.653 -10.733 1.00 0.71 C ATOM 971 CD GLU A 63 -4.933 1.295 -11.391 1.00 1.98 C ATOM 972 OE1 GLU A 63 -5.190 0.079 -11.523 1.00 2.71 O ATOM 973 OE2 GLU A 63 -5.676 2.241 -11.728 1.00 3.44 O ATOM 0 H GLU A 63 -3.153 0.053 -7.228 1.00 0.51 H new ATOM 0 HA GLU A 63 -3.774 2.641 -8.159 1.00 0.57 H new ATOM 0 HB2 GLU A 63 -2.326 0.911 -9.183 1.00 0.58 H new ATOM 0 HB3 GLU A 63 -3.736 -0.084 -9.487 1.00 0.58 H new ATOM 0 HG2 GLU A 63 -3.559 2.731 -10.579 1.00 0.71 H new ATOM 0 HG3 GLU A 63 -2.788 1.393 -11.408 1.00 0.71 H new ATOM 980 N SER A 64 -6.274 0.567 -8.676 1.00 0.55 N ATOM 981 CA SER A 64 -7.701 0.503 -8.972 1.00 0.72 C ATOM 982 C SER A 64 -8.577 0.922 -7.783 1.00 0.54 C ATOM 983 O SER A 64 -9.742 1.266 -7.970 1.00 0.56 O ATOM 984 CB SER A 64 -8.058 -0.903 -9.459 1.00 1.02 C ATOM 985 OG SER A 64 -9.422 -0.970 -9.844 1.00 1.43 O ATOM 0 H SER A 64 -5.805 -0.337 -8.732 1.00 0.55 H new ATOM 0 HA SER A 64 -7.910 1.224 -9.762 1.00 0.72 H new ATOM 0 HB2 SER A 64 -7.423 -1.173 -10.303 1.00 1.02 H new ATOM 0 HB3 SER A 64 -7.862 -1.628 -8.669 1.00 1.02 H new ATOM 0 HG SER A 64 -9.630 -1.876 -10.154 1.00 1.43 H new ATOM 991 N LEU A 65 -8.043 0.869 -6.561 1.00 0.51 N ATOM 992 CA LEU A 65 -8.691 1.326 -5.340 1.00 0.56 C ATOM 993 C LEU A 65 -8.899 2.842 -5.361 1.00 0.60 C ATOM 994 O LEU A 65 -9.748 3.340 -4.617 1.00 0.80 O ATOM 995 CB LEU A 65 -7.854 0.854 -4.144 1.00 0.76 C ATOM 996 CG LEU A 65 -8.554 0.873 -2.782 1.00 1.10 C ATOM 997 CD1 LEU A 65 -9.617 -0.229 -2.666 1.00 1.97 C ATOM 998 CD2 LEU A 65 -7.478 0.622 -1.724 1.00 2.47 C ATOM 0 H LEU A 65 -7.111 0.491 -6.393 1.00 0.51 H new ATOM 0 HA LEU A 65 -9.689 0.895 -5.255 1.00 0.56 H new ATOM 0 HB2 LEU A 65 -7.516 -0.163 -4.342 1.00 0.76 H new ATOM 0 HB3 LEU A 65 -6.963 1.479 -4.081 1.00 0.76 H new ATOM 0 HG LEU A 65 -9.056 1.832 -2.651 1.00 1.10 H new ATOM 0 HD11 LEU A 65 -10.088 -0.178 -1.684 1.00 1.97 H new ATOM 0 HD12 LEU A 65 -10.373 -0.088 -3.439 1.00 1.97 H new ATOM 0 HD13 LEU A 65 -9.146 -1.204 -2.793 1.00 1.97 H new ATOM 0 HD21 LEU A 65 -7.933 0.627 -0.734 1.00 2.47 H new ATOM 0 HD22 LEU A 65 -7.010 -0.346 -1.903 1.00 2.47 H new ATOM 0 HD23 LEU A 65 -6.723 1.406 -1.780 1.00 2.47 H new ATOM 1010 N GLY A 66 -8.170 3.554 -6.226 1.00 0.60 N ATOM 1011 CA GLY A 66 -8.384 4.954 -6.551 1.00 0.69 C ATOM 1012 C GLY A 66 -7.180 5.794 -6.148 1.00 0.53 C ATOM 1013 O GLY A 66 -7.354 6.875 -5.588 1.00 0.69 O ATOM 0 H GLY A 66 -7.385 3.148 -6.735 1.00 0.60 H new ATOM 0 HA2 GLY A 66 -8.565 5.060 -7.621 1.00 0.69 H new ATOM 0 HA3 GLY A 66 -9.275 5.318 -6.039 1.00 0.69 H new ATOM 1017 N PHE A 67 -5.966 5.306 -6.431 1.00 0.48 N ATOM 1018 CA PHE A 67 -4.736 5.992 -6.060 1.00 0.54 C ATOM 1019 C PHE A 67 -3.661 5.743 -7.113 1.00 0.62 C ATOM 1020 O PHE A 67 -3.893 4.999 -8.059 1.00 0.80 O ATOM 1021 CB PHE A 67 -4.243 5.488 -4.697 1.00 0.65 C ATOM 1022 CG PHE A 67 -5.251 5.543 -3.574 1.00 0.65 C ATOM 1023 CD1 PHE A 67 -5.454 6.754 -2.900 1.00 1.69 C ATOM 1024 CD2 PHE A 67 -6.058 4.432 -3.276 1.00 1.77 C ATOM 1025 CE1 PHE A 67 -6.559 6.907 -2.049 1.00 1.74 C ATOM 1026 CE2 PHE A 67 -7.120 4.562 -2.367 1.00 1.71 C ATOM 1027 CZ PHE A 67 -7.393 5.809 -1.782 1.00 0.65 C ATOM 0 H PHE A 67 -5.816 4.425 -6.923 1.00 0.48 H new ATOM 0 HA PHE A 67 -4.938 7.061 -5.997 1.00 0.54 H new ATOM 0 HB2 PHE A 67 -3.909 4.457 -4.811 1.00 0.65 H new ATOM 0 HB3 PHE A 67 -3.371 6.075 -4.407 1.00 0.65 H new ATOM 0 HD1 PHE A 67 -4.760 7.570 -3.035 1.00 1.69 H new ATOM 0 HD2 PHE A 67 -5.862 3.479 -3.746 1.00 1.77 H new ATOM 0 HE1 PHE A 67 -6.768 7.867 -1.600 1.00 1.74 H new ATOM 0 HE2 PHE A 67 -7.726 3.704 -2.118 1.00 1.71 H new ATOM 0 HZ PHE A 67 -8.244 5.924 -1.127 1.00 0.65 H new ATOM 1037 N GLU A 68 -2.475 6.331 -6.923 1.00 0.65 N ATOM 1038 CA GLU A 68 -1.299 6.070 -7.743 1.00 0.80 C ATOM 1039 C GLU A 68 -0.149 5.569 -6.860 1.00 0.72 C ATOM 1040 O GLU A 68 0.614 6.395 -6.359 1.00 0.76 O ATOM 1041 CB GLU A 68 -0.972 7.337 -8.551 1.00 1.03 C ATOM 1042 CG GLU A 68 -0.134 7.058 -9.809 1.00 2.62 C ATOM 1043 CD GLU A 68 1.317 6.732 -9.496 1.00 4.06 C ATOM 1044 OE1 GLU A 68 1.603 5.555 -9.207 1.00 5.44 O ATOM 1045 OE2 GLU A 68 2.110 7.702 -9.515 1.00 4.41 O ATOM 0 H GLU A 68 -2.308 7.012 -6.182 1.00 0.65 H new ATOM 0 HA GLU A 68 -1.482 5.274 -8.465 1.00 0.80 H new ATOM 0 HB2 GLU A 68 -1.903 7.823 -8.844 1.00 1.03 H new ATOM 0 HB3 GLU A 68 -0.434 8.038 -7.913 1.00 1.03 H new ATOM 0 HG2 GLU A 68 -0.577 6.227 -10.357 1.00 2.62 H new ATOM 0 HG3 GLU A 68 -0.172 7.928 -10.464 1.00 2.62 H new ATOM 1052 N PRO A 69 -0.059 4.245 -6.611 1.00 0.75 N ATOM 1053 CA PRO A 69 0.919 3.643 -5.716 1.00 0.88 C ATOM 1054 C PRO A 69 2.302 3.586 -6.372 1.00 1.11 C ATOM 1055 O PRO A 69 2.775 2.523 -6.772 1.00 1.86 O ATOM 1056 CB PRO A 69 0.372 2.245 -5.399 1.00 0.96 C ATOM 1057 CG PRO A 69 -0.361 1.883 -6.684 1.00 0.87 C ATOM 1058 CD PRO A 69 -0.961 3.217 -7.119 1.00 0.75 C ATOM 0 HA PRO A 69 1.056 4.226 -4.805 1.00 0.88 H new ATOM 0 HB2 PRO A 69 1.170 1.538 -5.173 1.00 0.96 H new ATOM 0 HB3 PRO A 69 -0.297 2.256 -4.539 1.00 0.96 H new ATOM 0 HG2 PRO A 69 0.317 1.480 -7.436 1.00 0.87 H new ATOM 0 HG3 PRO A 69 -1.130 1.130 -6.512 1.00 0.87 H new ATOM 0 HD2 PRO A 69 -1.045 3.272 -8.204 1.00 0.75 H new ATOM 0 HD3 PRO A 69 -1.965 3.344 -6.715 1.00 0.75 H new ATOM 1066 N SER A 70 2.975 4.731 -6.434 1.00 0.76 N ATOM 1067 CA SER A 70 4.337 4.810 -6.933 1.00 0.87 C ATOM 1068 C SER A 70 5.279 4.184 -5.915 1.00 0.90 C ATOM 1069 O SER A 70 5.054 4.273 -4.712 1.00 1.19 O ATOM 1070 CB SER A 70 4.705 6.273 -7.181 1.00 1.01 C ATOM 1071 OG SER A 70 6.060 6.439 -7.570 1.00 2.38 O ATOM 0 H SER A 70 2.589 5.628 -6.139 1.00 0.76 H new ATOM 0 HA SER A 70 4.423 4.266 -7.874 1.00 0.87 H new ATOM 0 HB2 SER A 70 4.056 6.680 -7.957 1.00 1.01 H new ATOM 0 HB3 SER A 70 4.518 6.849 -6.275 1.00 1.01 H new ATOM 0 HG SER A 70 6.646 6.226 -6.814 1.00 2.38 H new ATOM 1077 N LEU A 71 6.392 3.630 -6.387 1.00 0.83 N ATOM 1078 CA LEU A 71 7.505 3.313 -5.518 1.00 0.86 C ATOM 1079 C LEU A 71 7.967 4.633 -4.884 1.00 1.20 C ATOM 1080 O LEU A 71 7.885 5.678 -5.531 1.00 1.89 O ATOM 1081 CB LEU A 71 8.580 2.640 -6.383 1.00 1.16 C ATOM 1082 CG LEU A 71 9.908 2.425 -5.657 1.00 2.48 C ATOM 1083 CD1 LEU A 71 9.779 1.462 -4.468 1.00 3.46 C ATOM 1084 CD2 LEU A 71 10.955 1.883 -6.636 1.00 3.25 C ATOM 0 H LEU A 71 6.541 3.394 -7.368 1.00 0.83 H new ATOM 0 HA LEU A 71 7.256 2.625 -4.711 1.00 0.86 H new ATOM 0 HB2 LEU A 71 8.205 1.677 -6.728 1.00 1.16 H new ATOM 0 HB3 LEU A 71 8.755 3.250 -7.269 1.00 1.16 H new ATOM 0 HG LEU A 71 10.219 3.394 -5.266 1.00 2.48 H new ATOM 0 HD11 LEU A 71 10.750 1.345 -3.988 1.00 3.46 H new ATOM 0 HD12 LEU A 71 9.065 1.865 -3.749 1.00 3.46 H new ATOM 0 HD13 LEU A 71 9.429 0.492 -4.822 1.00 3.46 H new ATOM 0 HD21 LEU A 71 11.899 1.732 -6.112 1.00 3.25 H new ATOM 0 HD22 LEU A 71 10.612 0.933 -7.047 1.00 3.25 H new ATOM 0 HD23 LEU A 71 11.100 2.598 -7.446 1.00 3.25 H new ATOM 1096 N VAL A 72 8.413 4.594 -3.623 1.00 1.53 N ATOM 1097 CA VAL A 72 8.881 5.785 -2.919 1.00 1.96 C ATOM 1098 C VAL A 72 10.061 6.402 -3.671 1.00 1.44 C ATOM 1099 O VAL A 72 10.012 7.572 -4.033 1.00 2.54 O ATOM 1100 CB VAL A 72 9.278 5.445 -1.467 1.00 3.04 C ATOM 1101 CG1 VAL A 72 9.689 6.710 -0.700 1.00 3.64 C ATOM 1102 CG2 VAL A 72 8.139 4.767 -0.701 1.00 4.58 C ATOM 0 H VAL A 72 8.458 3.739 -3.068 1.00 1.53 H new ATOM 0 HA VAL A 72 8.068 6.510 -2.881 1.00 1.96 H new ATOM 0 HB VAL A 72 10.119 4.755 -1.535 1.00 3.04 H new ATOM 0 HG11 VAL A 72 9.964 6.443 0.320 1.00 3.64 H new ATOM 0 HG12 VAL A 72 10.541 7.175 -1.196 1.00 3.64 H new ATOM 0 HG13 VAL A 72 8.854 7.410 -0.679 1.00 3.64 H new ATOM 0 HG21 VAL A 72 8.465 4.547 0.316 1.00 4.58 H new ATOM 0 HG22 VAL A 72 7.276 5.432 -0.669 1.00 4.58 H new ATOM 0 HG23 VAL A 72 7.864 3.839 -1.203 1.00 4.58 H new ATOM 1112 N LYS A 73 11.108 5.588 -3.870 1.00 1.61 N ATOM 1113 CA LYS A 73 12.432 5.971 -4.349 1.00 2.87 C ATOM 1114 C LYS A 73 13.150 6.849 -3.320 1.00 2.94 C ATOM 1115 O LYS A 73 12.622 7.841 -2.830 1.00 3.69 O ATOM 1116 CB LYS A 73 12.381 6.609 -5.748 1.00 4.51 C ATOM 1117 CG LYS A 73 13.728 7.081 -6.316 1.00 5.92 C ATOM 1118 CD LYS A 73 14.769 5.960 -6.461 1.00 6.01 C ATOM 1119 CE LYS A 73 16.023 6.423 -7.220 1.00 7.61 C ATOM 1120 NZ LYS A 73 16.551 7.704 -6.711 1.00 8.44 N ATOM 0 H LYS A 73 11.043 4.586 -3.688 1.00 1.61 H new ATOM 0 HA LYS A 73 13.023 5.062 -4.463 1.00 2.87 H new ATOM 0 HB2 LYS A 73 11.949 5.887 -6.441 1.00 4.51 H new ATOM 0 HB3 LYS A 73 11.704 7.462 -5.713 1.00 4.51 H new ATOM 0 HG2 LYS A 73 13.560 7.536 -7.292 1.00 5.92 H new ATOM 0 HG3 LYS A 73 14.133 7.858 -5.667 1.00 5.92 H new ATOM 0 HD2 LYS A 73 15.057 5.604 -5.472 1.00 6.01 H new ATOM 0 HD3 LYS A 73 14.320 5.116 -6.985 1.00 6.01 H new ATOM 0 HE2 LYS A 73 16.795 5.658 -7.140 1.00 7.61 H new ATOM 0 HE3 LYS A 73 15.785 6.527 -8.279 1.00 7.61 H new ATOM 0 HZ1 LYS A 73 17.467 7.905 -7.160 1.00 8.44 H new ATOM 0 HZ2 LYS A 73 15.881 8.468 -6.933 1.00 8.44 H new ATOM 0 HZ3 LYS A 73 16.677 7.643 -5.680 1.00 8.44 H new ATOM 1134 N ILE A 74 14.385 6.467 -2.999 1.00 3.08 N ATOM 1135 CA ILE A 74 15.278 7.271 -2.182 1.00 3.94 C ATOM 1136 C ILE A 74 15.764 8.434 -3.050 1.00 4.82 C ATOM 1137 O ILE A 74 16.390 8.193 -4.087 1.00 5.50 O ATOM 1138 CB ILE A 74 16.447 6.413 -1.664 1.00 4.65 C ATOM 1139 CG1 ILE A 74 15.982 5.137 -0.933 1.00 5.16 C ATOM 1140 CG2 ILE A 74 17.369 7.247 -0.762 1.00 5.66 C ATOM 1141 CD1 ILE A 74 15.051 5.389 0.258 1.00 5.91 C ATOM 0 H ILE A 74 14.793 5.583 -3.303 1.00 3.08 H new ATOM 0 HA ILE A 74 14.765 7.660 -1.302 1.00 3.94 H new ATOM 0 HB ILE A 74 17.004 6.083 -2.541 1.00 4.65 H new ATOM 0 HG12 ILE A 74 15.471 4.491 -1.647 1.00 5.16 H new ATOM 0 HG13 ILE A 74 16.860 4.594 -0.583 1.00 5.16 H new ATOM 0 HG21 ILE A 74 18.189 6.624 -0.405 1.00 5.66 H new ATOM 0 HG22 ILE A 74 17.771 8.086 -1.329 1.00 5.66 H new ATOM 0 HG23 ILE A 74 16.802 7.623 0.090 1.00 5.66 H new ATOM 0 HD11 ILE A 74 14.774 4.437 0.711 1.00 5.91 H new ATOM 0 HD12 ILE A 74 15.563 6.007 0.996 1.00 5.91 H new ATOM 0 HD13 ILE A 74 14.153 5.902 -0.085 1.00 5.91 H new ATOM 1153 N GLU A 75 15.447 9.657 -2.632 1.00 5.50 N ATOM 1154 CA GLU A 75 15.774 10.946 -3.213 1.00 6.85 C ATOM 1155 C GLU A 75 15.439 11.948 -2.101 1.00 7.52 C ATOM 1156 O GLU A 75 15.800 13.133 -2.256 1.00 8.68 O ATOM 1157 CB GLU A 75 14.940 11.199 -4.482 1.00 7.43 C ATOM 1158 CG GLU A 75 15.776 11.020 -5.757 1.00 8.28 C ATOM 1159 CD GLU A 75 14.904 10.791 -6.983 1.00 9.35 C ATOM 1160 OE1 GLU A 75 14.138 11.708 -7.337 1.00 10.41 O ATOM 1161 OE2 GLU A 75 15.028 9.677 -7.540 1.00 9.52 O ATOM 1162 OXT GLU A 75 14.840 11.484 -1.100 1.00 7.39 O ATOM 0 H GLU A 75 14.893 9.776 -1.784 1.00 5.50 H new ATOM 0 HA GLU A 75 16.814 11.021 -3.531 1.00 6.85 H new ATOM 0 HB2 GLU A 75 14.093 10.513 -4.503 1.00 7.43 H new ATOM 0 HB3 GLU A 75 14.532 12.209 -4.454 1.00 7.43 H new ATOM 0 HG2 GLU A 75 16.395 11.904 -5.912 1.00 8.28 H new ATOM 0 HG3 GLU A 75 16.453 10.175 -5.631 1.00 8.28 H new TER 1169 GLU A 75