USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 542 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 -127:sc= 1.2 USER MOD Set 1.2: A 36 SER OG : rot 73:sc= 2.52 USER MOD Set 2.1: A 24 SER OG : rot 92:sc= 0.941 USER MOD Set 2.2: A 28 LYS NZ :NH3+ 159:sc= 2.26 (180deg=0.568) USER MOD Set 3.1: A 14 THR OG1 : rot 76:sc= 0.16 USER MOD Set 3.2: A 15 CYS SG : rot 180:sc= 0.423 USER MOD Set 3.3: A 17 SER OG : rot 101:sc= 0.602 USER MOD Set 3.4: A 18 CYS SG : rot -130:sc= 0.117 USER MOD Single : A 13 MET CE :methyl -178:sc= -0.672 (180deg=-0.706) USER MOD Single : A 20 HIS : no HD1:sc= -0.855 K(o=-0.86,f=-1.5) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= 1.23 (180deg=1.18) USER MOD Single : A 25 SER OG : rot 160:sc= 0 USER MOD Single : A 27 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 29 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-3.5!) USER MOD Single : A 35 CYS SG : rot 22:sc= -0.454 USER MOD Single : A 41 THR OG1 : rot -82:sc= -0.0367 USER MOD Single : A 42 ASN : amide:sc= 2.14 K(o=2.1,f=-6.5!) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 1.1 (180deg=0.966) USER MOD Single : A 45 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-7.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 2.16 K(o=2.2,f=-17!) USER MOD Single : A 61 THR OG1 : rot 78:sc= 1.17 USER MOD Single : A 64 SER OG : rot 73:sc= 1.14 USER MOD Single : A 70 SER OG : rot -130:sc= 0.265 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -8.685 -2.607 -6.489 1.00 1.33 N ATOM 47 CA VAL A 5 -7.812 -1.443 -6.440 1.00 1.12 C ATOM 48 C VAL A 5 -8.226 -0.533 -5.278 1.00 1.08 C ATOM 49 O VAL A 5 -9.391 -0.152 -5.167 1.00 1.42 O ATOM 50 CB VAL A 5 -7.795 -0.702 -7.792 1.00 1.33 C ATOM 51 CG1 VAL A 5 -7.490 -1.673 -8.937 1.00 2.71 C ATOM 52 CG2 VAL A 5 -9.096 0.041 -8.127 1.00 2.23 C ATOM 0 HA VAL A 5 -6.788 -1.770 -6.258 1.00 1.12 H new ATOM 0 HB VAL A 5 -7.011 0.048 -7.686 1.00 1.33 H new ATOM 0 HG11 VAL A 5 -7.483 -1.130 -9.882 1.00 2.71 H new ATOM 0 HG12 VAL A 5 -6.515 -2.132 -8.775 1.00 2.71 H new ATOM 0 HG13 VAL A 5 -8.255 -2.449 -8.970 1.00 2.71 H new ATOM 0 HG21 VAL A 5 -8.995 0.533 -9.094 1.00 2.23 H new ATOM 0 HG22 VAL A 5 -9.921 -0.670 -8.166 1.00 2.23 H new ATOM 0 HG23 VAL A 5 -9.296 0.788 -7.359 1.00 2.23 H new ATOM 62 N LEU A 6 -7.280 -0.142 -4.424 1.00 0.83 N ATOM 63 CA LEU A 6 -7.460 1.007 -3.547 1.00 0.84 C ATOM 64 C LEU A 6 -6.104 1.634 -3.280 1.00 0.73 C ATOM 65 O LEU A 6 -5.076 1.018 -3.558 1.00 0.80 O ATOM 66 CB LEU A 6 -8.238 0.657 -2.264 1.00 1.07 C ATOM 67 CG LEU A 6 -7.630 -0.432 -1.360 1.00 1.85 C ATOM 68 CD1 LEU A 6 -6.407 0.042 -0.562 1.00 3.23 C ATOM 69 CD2 LEU A 6 -8.697 -0.881 -0.351 1.00 2.25 C ATOM 0 H LEU A 6 -6.379 -0.609 -4.323 1.00 0.83 H new ATOM 0 HA LEU A 6 -8.088 1.746 -4.045 1.00 0.84 H new ATOM 0 HB2 LEU A 6 -8.347 1.567 -1.674 1.00 1.07 H new ATOM 0 HB3 LEU A 6 -9.241 0.340 -2.550 1.00 1.07 H new ATOM 0 HG LEU A 6 -7.304 -1.238 -2.017 1.00 1.85 H new ATOM 0 HD11 LEU A 6 -6.033 -0.778 0.052 1.00 3.23 H new ATOM 0 HD12 LEU A 6 -5.626 0.366 -1.251 1.00 3.23 H new ATOM 0 HD13 LEU A 6 -6.692 0.875 0.080 1.00 3.23 H new ATOM 0 HD21 LEU A 6 -8.283 -1.653 0.298 1.00 2.25 H new ATOM 0 HD22 LEU A 6 -9.009 -0.029 0.253 1.00 2.25 H new ATOM 0 HD23 LEU A 6 -9.558 -1.281 -0.886 1.00 2.25 H new ATOM 81 N GLU A 7 -6.098 2.860 -2.760 1.00 0.79 N ATOM 82 CA GLU A 7 -4.887 3.578 -2.450 1.00 0.98 C ATOM 83 C GLU A 7 -4.985 4.184 -1.059 1.00 0.81 C ATOM 84 O GLU A 7 -6.072 4.458 -0.549 1.00 1.20 O ATOM 85 CB GLU A 7 -4.537 4.636 -3.517 1.00 1.35 C ATOM 86 CG GLU A 7 -5.645 4.915 -4.542 1.00 0.90 C ATOM 87 CD GLU A 7 -6.852 5.523 -3.859 1.00 2.83 C ATOM 88 OE1 GLU A 7 -6.742 6.727 -3.540 1.00 3.46 O ATOM 89 OE2 GLU A 7 -7.819 4.761 -3.617 1.00 4.44 O ATOM 0 H GLU A 7 -6.949 3.379 -2.544 1.00 0.79 H new ATOM 0 HA GLU A 7 -4.063 2.865 -2.460 1.00 0.98 H new ATOM 0 HB2 GLU A 7 -4.286 5.569 -3.013 1.00 1.35 H new ATOM 0 HB3 GLU A 7 -3.643 4.311 -4.050 1.00 1.35 H new ATOM 0 HG2 GLU A 7 -5.275 5.592 -5.312 1.00 0.90 H new ATOM 0 HG3 GLU A 7 -5.929 3.989 -5.041 1.00 0.90 H new ATOM 96 N LEU A 8 -3.814 4.365 -0.458 1.00 0.52 N ATOM 97 CA LEU A 8 -3.633 4.869 0.882 1.00 0.50 C ATOM 98 C LEU A 8 -2.420 5.792 0.842 1.00 0.47 C ATOM 99 O LEU A 8 -1.410 5.453 0.230 1.00 0.48 O ATOM 100 CB LEU A 8 -3.467 3.712 1.887 1.00 0.61 C ATOM 101 CG LEU A 8 -2.662 2.508 1.352 1.00 0.79 C ATOM 102 CD1 LEU A 8 -1.899 1.816 2.480 1.00 1.16 C ATOM 103 CD2 LEU A 8 -3.567 1.443 0.716 1.00 1.39 C ATOM 0 H LEU A 8 -2.930 4.152 -0.920 1.00 0.52 H new ATOM 0 HA LEU A 8 -4.507 5.425 1.222 1.00 0.50 H new ATOM 0 HB2 LEU A 8 -2.975 4.093 2.782 1.00 0.61 H new ATOM 0 HB3 LEU A 8 -4.455 3.366 2.190 1.00 0.61 H new ATOM 0 HG LEU A 8 -1.981 2.916 0.605 1.00 0.79 H new ATOM 0 HD11 LEU A 8 -1.340 0.971 2.077 1.00 1.16 H new ATOM 0 HD12 LEU A 8 -1.208 2.523 2.939 1.00 1.16 H new ATOM 0 HD13 LEU A 8 -2.604 1.459 3.231 1.00 1.16 H new ATOM 0 HD21 LEU A 8 -2.956 0.616 0.354 1.00 1.39 H new ATOM 0 HD22 LEU A 8 -4.273 1.074 1.460 1.00 1.39 H new ATOM 0 HD23 LEU A 8 -4.115 1.882 -0.118 1.00 1.39 H new ATOM 115 N VAL A 9 -2.541 6.962 1.465 1.00 0.49 N ATOM 116 CA VAL A 9 -1.486 7.950 1.583 1.00 0.50 C ATOM 117 C VAL A 9 -0.571 7.439 2.689 1.00 0.47 C ATOM 118 O VAL A 9 -0.917 7.507 3.867 1.00 0.56 O ATOM 119 CB VAL A 9 -2.072 9.341 1.883 1.00 0.65 C ATOM 120 CG1 VAL A 9 -0.955 10.387 1.986 1.00 0.88 C ATOM 121 CG2 VAL A 9 -3.041 9.779 0.777 1.00 1.00 C ATOM 0 H VAL A 9 -3.409 7.253 1.915 1.00 0.49 H new ATOM 0 HA VAL A 9 -0.926 8.074 0.656 1.00 0.50 H new ATOM 0 HB VAL A 9 -2.605 9.270 2.831 1.00 0.65 H new ATOM 0 HG11 VAL A 9 -1.390 11.364 2.198 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.271 10.112 2.789 1.00 0.88 H new ATOM 0 HG13 VAL A 9 -0.409 10.430 1.044 1.00 0.88 H new ATOM 0 HG21 VAL A 9 -3.441 10.765 1.013 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.512 9.821 -0.175 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -3.860 9.063 0.706 1.00 1.00 H new ATOM 131 N VAL A 10 0.564 6.869 2.293 1.00 0.47 N ATOM 132 CA VAL A 10 1.500 6.179 3.149 1.00 0.48 C ATOM 133 C VAL A 10 2.500 7.220 3.621 1.00 0.52 C ATOM 134 O VAL A 10 3.650 7.248 3.184 1.00 0.75 O ATOM 135 CB VAL A 10 2.135 5.012 2.377 1.00 0.47 C ATOM 136 CG1 VAL A 10 1.140 3.855 2.261 1.00 0.63 C ATOM 137 CG2 VAL A 10 2.592 5.373 0.960 1.00 0.65 C ATOM 0 H VAL A 10 0.862 6.881 1.318 1.00 0.47 H new ATOM 0 HA VAL A 10 1.028 5.729 4.023 1.00 0.48 H new ATOM 0 HB VAL A 10 3.019 4.736 2.952 1.00 0.47 H new ATOM 0 HG11 VAL A 10 1.600 3.033 1.712 1.00 0.63 H new ATOM 0 HG12 VAL A 10 0.860 3.514 3.258 1.00 0.63 H new ATOM 0 HG13 VAL A 10 0.250 4.192 1.730 1.00 0.63 H new ATOM 0 HG21 VAL A 10 3.028 4.495 0.484 1.00 0.65 H new ATOM 0 HG22 VAL A 10 1.736 5.714 0.377 1.00 0.65 H new ATOM 0 HG23 VAL A 10 3.337 6.167 1.009 1.00 0.65 H new ATOM 147 N ARG A 11 2.045 8.109 4.504 1.00 0.42 N ATOM 148 CA ARG A 11 2.757 9.362 4.667 1.00 0.53 C ATOM 149 C ARG A 11 4.037 9.082 5.449 1.00 0.57 C ATOM 150 O ARG A 11 4.001 8.474 6.521 1.00 0.83 O ATOM 151 CB ARG A 11 1.890 10.467 5.290 1.00 0.84 C ATOM 152 CG ARG A 11 1.241 10.086 6.622 1.00 1.32 C ATOM 153 CD ARG A 11 0.514 11.277 7.253 1.00 1.73 C ATOM 154 NE ARG A 11 -0.154 10.859 8.500 1.00 2.74 N ATOM 155 CZ ARG A 11 -1.442 10.504 8.639 1.00 3.54 C ATOM 156 NH1 ARG A 11 -2.312 10.755 7.655 1.00 3.83 N ATOM 157 NH2 ARG A 11 -1.866 9.886 9.743 1.00 4.94 N ATOM 0 H ARG A 11 1.221 7.988 5.092 1.00 0.42 H new ATOM 0 HA ARG A 11 3.020 9.761 3.687 1.00 0.53 H new ATOM 0 HB2 ARG A 11 2.506 11.354 5.440 1.00 0.84 H new ATOM 0 HB3 ARG A 11 1.107 10.739 4.583 1.00 0.84 H new ATOM 0 HG2 ARG A 11 0.536 9.270 6.464 1.00 1.32 H new ATOM 0 HG3 ARG A 11 2.004 9.719 7.308 1.00 1.32 H new ATOM 0 HD2 ARG A 11 1.224 12.077 7.462 1.00 1.73 H new ATOM 0 HD3 ARG A 11 -0.221 11.677 6.554 1.00 1.73 H new ATOM 0 HE ARG A 11 0.421 10.837 9.342 1.00 2.74 H new ATOM 0 HH11 ARG A 11 -1.997 11.215 6.801 1.00 3.83 H new ATOM 0 HH12 ARG A 11 -3.290 10.486 7.759 1.00 3.83 H new ATOM 0 HH21 ARG A 11 -1.209 9.677 10.495 1.00 4.94 H new ATOM 0 HH22 ARG A 11 -2.847 9.622 9.835 1.00 4.94 H new ATOM 171 N GLY A 12 5.167 9.468 4.852 1.00 0.74 N ATOM 172 CA GLY A 12 6.489 9.278 5.423 1.00 0.82 C ATOM 173 C GLY A 12 7.486 8.752 4.392 1.00 0.71 C ATOM 174 O GLY A 12 8.683 8.976 4.549 1.00 0.81 O ATOM 0 H GLY A 12 5.182 9.929 3.942 1.00 0.74 H new ATOM 0 HA2 GLY A 12 6.849 10.224 5.826 1.00 0.82 H new ATOM 0 HA3 GLY A 12 6.427 8.579 6.257 1.00 0.82 H new ATOM 178 N MET A 13 7.028 8.048 3.351 1.00 0.66 N ATOM 179 CA MET A 13 7.948 7.459 2.387 1.00 0.71 C ATOM 180 C MET A 13 8.522 8.539 1.466 1.00 0.94 C ATOM 181 O MET A 13 7.803 9.128 0.661 1.00 1.59 O ATOM 182 CB MET A 13 7.275 6.287 1.667 1.00 1.00 C ATOM 183 CG MET A 13 6.062 6.616 0.802 1.00 0.88 C ATOM 184 SD MET A 13 6.407 6.685 -0.974 1.00 1.33 S ATOM 185 CE MET A 13 4.723 6.473 -1.555 1.00 1.47 C ATOM 0 H MET A 13 6.041 7.877 3.161 1.00 0.66 H new ATOM 0 HA MET A 13 8.812 7.032 2.896 1.00 0.71 H new ATOM 0 HB2 MET A 13 8.020 5.802 1.036 1.00 1.00 H new ATOM 0 HB3 MET A 13 6.969 5.558 2.417 1.00 1.00 H new ATOM 0 HG2 MET A 13 5.290 5.868 0.981 1.00 0.88 H new ATOM 0 HG3 MET A 13 5.655 7.576 1.118 1.00 0.88 H new ATOM 0 HE1 MET A 13 4.714 6.450 -2.645 1.00 1.47 H new ATOM 0 HE2 MET A 13 4.320 5.536 -1.169 1.00 1.47 H new ATOM 0 HE3 MET A 13 4.110 7.303 -1.204 1.00 1.47 H new ATOM 195 N THR A 14 9.811 8.847 1.615 1.00 0.68 N ATOM 196 CA THR A 14 10.435 9.977 0.953 1.00 0.92 C ATOM 197 C THR A 14 10.870 9.642 -0.474 1.00 1.01 C ATOM 198 O THR A 14 10.709 10.475 -1.364 1.00 1.54 O ATOM 199 CB THR A 14 11.628 10.445 1.797 1.00 1.64 C ATOM 200 OG1 THR A 14 12.395 9.330 2.210 1.00 3.36 O ATOM 201 CG2 THR A 14 11.153 11.177 3.056 1.00 1.86 C ATOM 0 H THR A 14 10.449 8.312 2.204 1.00 0.68 H new ATOM 0 HA THR A 14 9.703 10.780 0.868 1.00 0.92 H new ATOM 0 HB THR A 14 12.224 11.118 1.181 1.00 1.64 H new ATOM 0 HG1 THR A 14 12.928 9.002 1.456 1.00 3.36 H new ATOM 0 HG21 THR A 14 12.017 11.499 3.638 1.00 1.86 H new ATOM 0 HG22 THR A 14 10.563 12.048 2.770 1.00 1.86 H new ATOM 0 HG23 THR A 14 10.540 10.506 3.658 1.00 1.86 H new ATOM 209 N CYS A 15 11.496 8.478 -0.680 1.00 0.85 N ATOM 210 CA CYS A 15 12.379 8.269 -1.822 1.00 0.95 C ATOM 211 C CYS A 15 12.377 6.814 -2.291 1.00 0.79 C ATOM 212 O CYS A 15 11.742 5.953 -1.680 1.00 0.70 O ATOM 213 CB CYS A 15 13.787 8.722 -1.416 1.00 1.14 C ATOM 214 SG CYS A 15 14.565 7.696 -0.142 1.00 1.41 S ATOM 0 H CYS A 15 11.404 7.668 -0.067 1.00 0.85 H new ATOM 0 HA CYS A 15 12.023 8.856 -2.669 1.00 0.95 H new ATOM 0 HB2 CYS A 15 14.423 8.726 -2.301 1.00 1.14 H new ATOM 0 HB3 CYS A 15 13.735 9.750 -1.056 1.00 1.14 H new ATOM 0 HG CYS A 15 15.749 8.161 0.127 1.00 1.41 H new ATOM 219 N ALA A 16 13.122 6.553 -3.371 1.00 0.79 N ATOM 220 CA ALA A 16 13.312 5.240 -3.977 1.00 0.74 C ATOM 221 C ALA A 16 13.499 4.149 -2.921 1.00 0.63 C ATOM 222 O ALA A 16 12.843 3.109 -2.972 1.00 0.60 O ATOM 223 CB ALA A 16 14.516 5.288 -4.924 1.00 0.80 C ATOM 0 H ALA A 16 13.629 7.287 -3.865 1.00 0.79 H new ATOM 0 HA ALA A 16 12.414 4.988 -4.541 1.00 0.74 H new ATOM 0 HB1 ALA A 16 14.661 4.308 -5.379 1.00 0.80 H new ATOM 0 HB2 ALA A 16 14.336 6.027 -5.705 1.00 0.80 H new ATOM 0 HB3 ALA A 16 15.409 5.563 -4.363 1.00 0.80 H new ATOM 229 N SER A 17 14.386 4.411 -1.958 1.00 0.63 N ATOM 230 CA SER A 17 14.673 3.551 -0.825 1.00 0.66 C ATOM 231 C SER A 17 13.393 3.075 -0.135 1.00 0.60 C ATOM 232 O SER A 17 13.258 1.902 0.202 1.00 0.74 O ATOM 233 CB SER A 17 15.564 4.332 0.145 1.00 0.83 C ATOM 234 OG SER A 17 16.520 5.067 -0.600 1.00 1.96 O ATOM 0 H SER A 17 14.943 5.266 -1.953 1.00 0.63 H new ATOM 0 HA SER A 17 15.186 2.653 -1.169 1.00 0.66 H new ATOM 0 HB2 SER A 17 14.960 5.006 0.752 1.00 0.83 H new ATOM 0 HB3 SER A 17 16.065 3.648 0.830 1.00 0.83 H new ATOM 0 HG SER A 17 16.238 6.004 -0.660 1.00 1.96 H new ATOM 240 N CYS A 18 12.469 4.005 0.113 1.00 0.51 N ATOM 241 CA CYS A 18 11.179 3.696 0.690 1.00 0.49 C ATOM 242 C CYS A 18 10.290 2.979 -0.327 1.00 0.49 C ATOM 243 O CYS A 18 9.763 1.906 -0.039 1.00 0.66 O ATOM 244 CB CYS A 18 10.531 4.977 1.211 1.00 0.54 C ATOM 245 SG CYS A 18 11.535 5.934 2.376 1.00 0.74 S ATOM 0 H CYS A 18 12.605 4.996 -0.085 1.00 0.51 H new ATOM 0 HA CYS A 18 11.312 3.016 1.532 1.00 0.49 H new ATOM 0 HB2 CYS A 18 10.286 5.613 0.360 1.00 0.54 H new ATOM 0 HB3 CYS A 18 9.590 4.717 1.696 1.00 0.54 H new ATOM 0 HG CYS A 18 10.826 6.220 3.427 1.00 0.74 H new ATOM 250 N VAL A 19 10.120 3.578 -1.511 1.00 0.40 N ATOM 251 CA VAL A 19 9.261 3.094 -2.583 1.00 0.41 C ATOM 252 C VAL A 19 9.454 1.592 -2.745 1.00 0.43 C ATOM 253 O VAL A 19 8.511 0.816 -2.574 1.00 0.42 O ATOM 254 CB VAL A 19 9.592 3.857 -3.882 1.00 0.45 C ATOM 255 CG1 VAL A 19 8.990 3.248 -5.158 1.00 0.60 C ATOM 256 CG2 VAL A 19 9.151 5.321 -3.772 1.00 0.54 C ATOM 0 H VAL A 19 10.598 4.446 -1.752 1.00 0.40 H new ATOM 0 HA VAL A 19 8.213 3.273 -2.344 1.00 0.41 H new ATOM 0 HB VAL A 19 10.675 3.779 -3.983 1.00 0.45 H new ATOM 0 HG11 VAL A 19 9.276 3.852 -6.019 1.00 0.60 H new ATOM 0 HG12 VAL A 19 9.363 2.232 -5.287 1.00 0.60 H new ATOM 0 HG13 VAL A 19 7.903 3.228 -5.074 1.00 0.60 H new ATOM 0 HG21 VAL A 19 9.392 5.844 -4.697 1.00 0.54 H new ATOM 0 HG22 VAL A 19 8.076 5.365 -3.600 1.00 0.54 H new ATOM 0 HG23 VAL A 19 9.671 5.796 -2.940 1.00 0.54 H new ATOM 266 N HIS A 20 10.693 1.200 -3.050 1.00 0.49 N ATOM 267 CA HIS A 20 11.040 -0.176 -3.322 1.00 0.56 C ATOM 268 C HIS A 20 11.022 -1.071 -2.078 1.00 0.65 C ATOM 269 O HIS A 20 11.036 -2.295 -2.193 1.00 0.96 O ATOM 270 CB HIS A 20 12.304 -0.212 -4.184 1.00 0.68 C ATOM 271 CG HIS A 20 13.630 0.200 -3.592 1.00 0.78 C ATOM 272 ND1 HIS A 20 14.725 0.577 -4.338 1.00 0.94 N ATOM 273 CD2 HIS A 20 14.036 0.123 -2.286 1.00 0.80 C ATOM 274 CE1 HIS A 20 15.765 0.718 -3.500 1.00 1.04 C ATOM 275 NE2 HIS A 20 15.398 0.437 -2.240 1.00 0.95 N ATOM 0 H HIS A 20 11.483 1.843 -3.113 1.00 0.49 H new ATOM 0 HA HIS A 20 10.257 -0.646 -3.917 1.00 0.56 H new ATOM 0 HB2 HIS A 20 12.416 -1.231 -4.554 1.00 0.68 H new ATOM 0 HB3 HIS A 20 12.124 0.424 -5.051 1.00 0.68 H new ATOM 0 HD2 HIS A 20 13.414 -0.135 -1.441 1.00 0.80 H new ATOM 0 HE1 HIS A 20 16.759 1.016 -3.799 1.00 1.04 H new ATOM 0 HE2 HIS A 20 15.994 0.450 -1.413 1.00 0.95 H new ATOM 283 N LYS A 21 10.950 -0.478 -0.878 1.00 0.54 N ATOM 284 CA LYS A 21 10.570 -1.217 0.311 1.00 0.57 C ATOM 285 C LYS A 21 9.084 -1.550 0.161 1.00 0.57 C ATOM 286 O LYS A 21 8.706 -2.713 0.281 1.00 0.66 O ATOM 287 CB LYS A 21 10.948 -0.449 1.607 1.00 0.68 C ATOM 288 CG LYS A 21 9.813 -0.317 2.641 1.00 2.10 C ATOM 289 CD LYS A 21 10.170 0.526 3.877 1.00 2.43 C ATOM 290 CE LYS A 21 11.094 -0.178 4.884 1.00 2.59 C ATOM 291 NZ LYS A 21 11.154 0.561 6.168 1.00 3.68 N ATOM 0 H LYS A 21 11.151 0.509 -0.716 1.00 0.54 H new ATOM 0 HA LYS A 21 11.123 -2.151 0.410 1.00 0.57 H new ATOM 0 HB2 LYS A 21 11.791 -0.954 2.078 1.00 0.68 H new ATOM 0 HB3 LYS A 21 11.288 0.550 1.333 1.00 0.68 H new ATOM 0 HG2 LYS A 21 8.944 0.126 2.154 1.00 2.10 H new ATOM 0 HG3 LYS A 21 9.520 -1.314 2.969 1.00 2.10 H new ATOM 0 HD2 LYS A 21 10.649 1.448 3.546 1.00 2.43 H new ATOM 0 HD3 LYS A 21 9.249 0.810 4.386 1.00 2.43 H new ATOM 0 HE2 LYS A 21 10.736 -1.192 5.062 1.00 2.59 H new ATOM 0 HE3 LYS A 21 12.096 -0.263 4.464 1.00 2.59 H new ATOM 0 HZ1 LYS A 21 12.049 0.344 6.652 1.00 3.68 H new ATOM 0 HZ2 LYS A 21 11.099 1.583 5.983 1.00 3.68 H new ATOM 0 HZ3 LYS A 21 10.356 0.275 6.771 1.00 3.68 H new ATOM 305 N ILE A 22 8.228 -0.550 -0.095 1.00 0.52 N ATOM 306 CA ILE A 22 6.793 -0.774 -0.024 1.00 0.41 C ATOM 307 C ILE A 22 6.376 -1.752 -1.108 1.00 0.39 C ATOM 308 O ILE A 22 5.809 -2.794 -0.790 1.00 0.42 O ATOM 309 CB ILE A 22 5.953 0.516 -0.104 1.00 0.39 C ATOM 310 CG1 ILE A 22 6.490 1.580 0.852 1.00 0.59 C ATOM 311 CG2 ILE A 22 4.493 0.167 0.238 1.00 0.66 C ATOM 312 CD1 ILE A 22 5.582 2.800 1.014 1.00 0.57 C ATOM 0 H ILE A 22 8.504 0.399 -0.347 1.00 0.52 H new ATOM 0 HA ILE A 22 6.591 -1.194 0.961 1.00 0.41 H new ATOM 0 HB ILE A 22 6.011 0.927 -1.112 1.00 0.39 H new ATOM 0 HG12 ILE A 22 6.646 1.126 1.831 1.00 0.59 H new ATOM 0 HG13 ILE A 22 7.465 1.913 0.496 1.00 0.59 H new ATOM 0 HG21 ILE A 22 3.882 1.068 0.187 1.00 0.66 H new ATOM 0 HG22 ILE A 22 4.118 -0.567 -0.475 1.00 0.66 H new ATOM 0 HG23 ILE A 22 4.444 -0.248 1.245 1.00 0.66 H new ATOM 0 HD11 ILE A 22 6.039 3.504 1.709 1.00 0.57 H new ATOM 0 HD12 ILE A 22 5.445 3.283 0.046 1.00 0.57 H new ATOM 0 HD13 ILE A 22 4.614 2.484 1.402 1.00 0.57 H new ATOM 324 N GLU A 23 6.609 -1.409 -2.378 1.00 0.44 N ATOM 325 CA GLU A 23 5.971 -2.148 -3.453 1.00 0.60 C ATOM 326 C GLU A 23 6.330 -3.632 -3.396 1.00 0.72 C ATOM 327 O GLU A 23 5.437 -4.478 -3.292 1.00 0.76 O ATOM 328 CB GLU A 23 6.126 -1.453 -4.811 1.00 0.95 C ATOM 329 CG GLU A 23 7.530 -1.096 -5.312 1.00 1.53 C ATOM 330 CD GLU A 23 8.346 -2.311 -5.712 1.00 2.97 C ATOM 331 OE1 GLU A 23 7.979 -2.944 -6.721 1.00 3.51 O ATOM 332 OE2 GLU A 23 9.280 -2.626 -4.943 1.00 4.51 O ATOM 0 H GLU A 23 7.218 -0.646 -2.675 1.00 0.44 H new ATOM 0 HA GLU A 23 4.892 -2.135 -3.303 1.00 0.60 H new ATOM 0 HB2 GLU A 23 5.662 -2.093 -5.562 1.00 0.95 H new ATOM 0 HB3 GLU A 23 5.546 -0.531 -4.776 1.00 0.95 H new ATOM 0 HG2 GLU A 23 7.445 -0.426 -6.167 1.00 1.53 H new ATOM 0 HG3 GLU A 23 8.060 -0.551 -4.531 1.00 1.53 H new ATOM 339 N SER A 24 7.622 -3.951 -3.363 1.00 0.85 N ATOM 340 CA SER A 24 8.066 -5.319 -3.248 1.00 1.00 C ATOM 341 C SER A 24 7.556 -5.921 -1.945 1.00 0.82 C ATOM 342 O SER A 24 7.020 -7.024 -1.986 1.00 0.96 O ATOM 343 CB SER A 24 9.589 -5.424 -3.379 1.00 1.31 C ATOM 344 OG SER A 24 9.988 -6.792 -3.412 1.00 2.01 O ATOM 0 H SER A 24 8.377 -3.267 -3.415 1.00 0.85 H new ATOM 0 HA SER A 24 7.647 -5.897 -4.072 1.00 1.00 H new ATOM 0 HB2 SER A 24 9.919 -4.920 -4.287 1.00 1.31 H new ATOM 0 HB3 SER A 24 10.069 -4.918 -2.541 1.00 1.31 H new ATOM 0 HG SER A 24 10.030 -7.098 -4.342 1.00 2.01 H new ATOM 350 N SER A 25 7.715 -5.255 -0.796 1.00 0.66 N ATOM 351 CA SER A 25 7.408 -5.910 0.477 1.00 0.67 C ATOM 352 C SER A 25 5.923 -6.260 0.564 1.00 0.52 C ATOM 353 O SER A 25 5.570 -7.351 1.006 1.00 0.64 O ATOM 354 CB SER A 25 7.868 -5.068 1.672 1.00 0.86 C ATOM 355 OG SER A 25 7.772 -5.806 2.876 1.00 1.16 O ATOM 0 H SER A 25 8.044 -4.292 -0.721 1.00 0.66 H new ATOM 0 HA SER A 25 7.970 -6.843 0.517 1.00 0.67 H new ATOM 0 HB2 SER A 25 8.898 -4.745 1.520 1.00 0.86 H new ATOM 0 HB3 SER A 25 7.259 -4.167 1.743 1.00 0.86 H new ATOM 0 HG SER A 25 8.348 -5.399 3.556 1.00 1.16 H new ATOM 361 N LEU A 26 5.055 -5.342 0.140 1.00 0.50 N ATOM 362 CA LEU A 26 3.627 -5.599 0.070 1.00 0.67 C ATOM 363 C LEU A 26 3.361 -6.715 -0.936 1.00 0.68 C ATOM 364 O LEU A 26 2.616 -7.646 -0.631 1.00 0.76 O ATOM 365 CB LEU A 26 2.874 -4.313 -0.291 1.00 0.85 C ATOM 366 CG LEU A 26 2.477 -3.461 0.926 1.00 1.03 C ATOM 367 CD1 LEU A 26 1.312 -4.068 1.717 1.00 2.14 C ATOM 368 CD2 LEU A 26 3.642 -3.212 1.886 1.00 1.75 C ATOM 0 H LEU A 26 5.325 -4.406 -0.162 1.00 0.50 H new ATOM 0 HA LEU A 26 3.262 -5.926 1.044 1.00 0.67 H new ATOM 0 HB2 LEU A 26 3.497 -3.713 -0.955 1.00 0.85 H new ATOM 0 HB3 LEU A 26 1.974 -4.575 -0.848 1.00 0.85 H new ATOM 0 HG LEU A 26 2.162 -2.508 0.500 1.00 1.03 H new ATOM 0 HD11 LEU A 26 1.074 -3.425 2.565 1.00 2.14 H new ATOM 0 HD12 LEU A 26 0.439 -4.154 1.070 1.00 2.14 H new ATOM 0 HD13 LEU A 26 1.594 -5.057 2.079 1.00 2.14 H new ATOM 0 HD21 LEU A 26 3.299 -2.605 2.724 1.00 1.75 H new ATOM 0 HD22 LEU A 26 4.017 -4.165 2.258 1.00 1.75 H new ATOM 0 HD23 LEU A 26 4.440 -2.688 1.361 1.00 1.75 H new ATOM 380 N THR A 27 3.984 -6.647 -2.118 1.00 0.70 N ATOM 381 CA THR A 27 3.901 -7.705 -3.120 1.00 0.80 C ATOM 382 C THR A 27 4.697 -8.951 -2.693 1.00 0.89 C ATOM 383 O THR A 27 5.698 -9.316 -3.316 1.00 1.59 O ATOM 384 CB THR A 27 4.275 -7.164 -4.510 1.00 1.18 C ATOM 385 OG1 THR A 27 3.622 -5.930 -4.728 1.00 2.81 O ATOM 386 CG2 THR A 27 3.832 -8.114 -5.628 1.00 1.56 C ATOM 0 H THR A 27 4.559 -5.854 -2.403 1.00 0.70 H new ATOM 0 HA THR A 27 2.867 -8.043 -3.196 1.00 0.80 H new ATOM 0 HB THR A 27 5.359 -7.057 -4.532 1.00 1.18 H new ATOM 0 HG1 THR A 27 4.118 -5.214 -4.279 1.00 2.81 H new ATOM 0 HG21 THR A 27 4.115 -7.696 -6.594 1.00 1.56 H new ATOM 0 HG22 THR A 27 4.316 -9.082 -5.496 1.00 1.56 H new ATOM 0 HG23 THR A 27 2.750 -8.241 -5.590 1.00 1.56 H new ATOM 394 N LYS A 28 4.240 -9.590 -1.614 1.00 0.91 N ATOM 395 CA LYS A 28 4.650 -10.882 -1.079 1.00 1.00 C ATOM 396 C LYS A 28 3.429 -11.554 -0.446 1.00 0.82 C ATOM 397 O LYS A 28 3.168 -12.728 -0.699 1.00 0.91 O ATOM 398 CB LYS A 28 5.740 -10.731 -0.003 1.00 1.30 C ATOM 399 CG LYS A 28 6.990 -9.982 -0.463 1.00 2.37 C ATOM 400 CD LYS A 28 7.844 -10.776 -1.467 1.00 4.04 C ATOM 401 CE LYS A 28 8.932 -9.898 -2.107 1.00 5.93 C ATOM 402 NZ LYS A 28 8.373 -8.962 -3.103 1.00 7.09 N ATOM 0 H LYS A 28 3.505 -9.174 -1.042 1.00 0.91 H new ATOM 0 HA LYS A 28 5.056 -11.479 -1.895 1.00 1.00 H new ATOM 0 HB2 LYS A 28 5.315 -10.209 0.855 1.00 1.30 H new ATOM 0 HB3 LYS A 28 6.033 -11.723 0.340 1.00 1.30 H new ATOM 0 HG2 LYS A 28 6.692 -9.038 -0.918 1.00 2.37 H new ATOM 0 HG3 LYS A 28 7.599 -9.738 0.407 1.00 2.37 H new ATOM 0 HD2 LYS A 28 8.310 -11.621 -0.960 1.00 4.04 H new ATOM 0 HD3 LYS A 28 7.202 -11.186 -2.247 1.00 4.04 H new ATOM 0 HE2 LYS A 28 9.447 -9.334 -1.329 1.00 5.93 H new ATOM 0 HE3 LYS A 28 9.676 -10.534 -2.585 1.00 5.93 H new ATOM 0 HZ1 LYS A 28 9.034 -8.172 -3.247 1.00 7.09 H new ATOM 0 HZ2 LYS A 28 8.228 -9.460 -4.004 1.00 7.09 H new ATOM 0 HZ3 LYS A 28 7.463 -8.593 -2.761 1.00 7.09 H new ATOM 416 N HIS A 29 2.703 -10.825 0.414 1.00 0.90 N ATOM 417 CA HIS A 29 1.598 -11.397 1.164 1.00 1.15 C ATOM 418 C HIS A 29 0.507 -11.920 0.220 1.00 1.16 C ATOM 419 O HIS A 29 0.063 -11.212 -0.687 1.00 1.39 O ATOM 420 CB HIS A 29 1.070 -10.408 2.213 1.00 1.54 C ATOM 421 CG HIS A 29 0.334 -9.203 1.679 1.00 0.73 C ATOM 422 ND1 HIS A 29 -0.928 -9.214 1.128 1.00 1.30 N ATOM 423 CD2 HIS A 29 0.697 -7.892 1.845 1.00 0.74 C ATOM 424 CE1 HIS A 29 -1.307 -7.938 0.958 1.00 1.97 C ATOM 425 NE2 HIS A 29 -0.359 -7.096 1.395 1.00 1.51 N ATOM 0 H HIS A 29 2.869 -9.836 0.601 1.00 0.90 H new ATOM 0 HA HIS A 29 1.963 -12.261 1.719 1.00 1.15 H new ATOM 0 HB2 HIS A 29 0.403 -10.946 2.887 1.00 1.54 H new ATOM 0 HB3 HIS A 29 1.913 -10.059 2.810 1.00 1.54 H new ATOM 0 HD1 HIS A 29 -1.475 -10.042 0.892 1.00 1.30 H new ATOM 0 HD2 HIS A 29 1.633 -7.537 2.251 1.00 0.74 H new ATOM 0 HE1 HIS A 29 -2.248 -7.631 0.527 1.00 1.97 H new ATOM 433 N ARG A 30 0.077 -13.166 0.444 1.00 1.36 N ATOM 434 CA ARG A 30 -0.939 -13.831 -0.358 1.00 1.55 C ATOM 435 C ARG A 30 -2.260 -13.069 -0.268 1.00 1.89 C ATOM 436 O ARG A 30 -3.071 -13.329 0.617 1.00 3.37 O ATOM 437 CB ARG A 30 -1.121 -15.282 0.111 1.00 1.82 C ATOM 438 CG ARG A 30 0.125 -16.139 -0.146 1.00 2.76 C ATOM 439 CD ARG A 30 -0.165 -17.593 0.243 1.00 3.49 C ATOM 440 NE ARG A 30 0.990 -18.462 -0.026 1.00 4.75 N ATOM 441 CZ ARG A 30 1.003 -19.793 0.156 1.00 5.75 C ATOM 442 NH1 ARG A 30 -0.085 -20.408 0.631 1.00 5.68 N ATOM 443 NH2 ARG A 30 2.100 -20.500 -0.137 1.00 7.15 N ATOM 0 H ARG A 30 0.436 -13.746 1.203 1.00 1.36 H new ATOM 0 HA ARG A 30 -0.615 -13.843 -1.399 1.00 1.55 H new ATOM 0 HB2 ARG A 30 -1.351 -15.291 1.176 1.00 1.82 H new ATOM 0 HB3 ARG A 30 -1.975 -15.723 -0.403 1.00 1.82 H new ATOM 0 HG2 ARG A 30 0.408 -16.082 -1.197 1.00 2.76 H new ATOM 0 HG3 ARG A 30 0.967 -15.758 0.432 1.00 2.76 H new ATOM 0 HD2 ARG A 30 -0.421 -17.644 1.301 1.00 3.49 H new ATOM 0 HD3 ARG A 30 -1.031 -17.954 -0.312 1.00 3.49 H new ATOM 0 HE ARG A 30 1.842 -18.023 -0.376 1.00 4.75 H new ATOM 0 HH11 ARG A 30 -0.920 -19.867 0.854 1.00 5.68 H new ATOM 0 HH12 ARG A 30 -0.080 -21.418 0.771 1.00 5.68 H new ATOM 0 HH21 ARG A 30 2.929 -20.029 -0.499 1.00 7.15 H new ATOM 0 HH22 ARG A 30 2.108 -21.510 0.002 1.00 7.15 H new ATOM 457 N GLY A 31 -2.465 -12.121 -1.181 1.00 1.08 N ATOM 458 CA GLY A 31 -3.681 -11.336 -1.248 1.00 1.24 C ATOM 459 C GLY A 31 -3.490 -10.055 -2.045 1.00 1.01 C ATOM 460 O GLY A 31 -4.443 -9.582 -2.655 1.00 1.00 O ATOM 0 H GLY A 31 -1.781 -11.880 -1.898 1.00 1.08 H new ATOM 0 HA2 GLY A 31 -4.472 -11.932 -1.703 1.00 1.24 H new ATOM 0 HA3 GLY A 31 -4.009 -11.089 -0.238 1.00 1.24 H new ATOM 464 N ILE A 32 -2.274 -9.492 -2.053 1.00 0.96 N ATOM 465 CA ILE A 32 -1.953 -8.462 -3.030 1.00 0.79 C ATOM 466 C ILE A 32 -1.639 -9.163 -4.343 1.00 1.00 C ATOM 467 O ILE A 32 -0.896 -10.144 -4.354 1.00 1.28 O ATOM 468 CB ILE A 32 -0.824 -7.527 -2.546 1.00 0.65 C ATOM 469 CG1 ILE A 32 -1.475 -6.197 -2.137 1.00 0.93 C ATOM 470 CG2 ILE A 32 0.240 -7.227 -3.614 1.00 0.93 C ATOM 471 CD1 ILE A 32 -0.495 -5.271 -1.429 1.00 2.18 C ATOM 0 H ILE A 32 -1.519 -9.729 -1.409 1.00 0.96 H new ATOM 0 HA ILE A 32 -2.803 -7.795 -3.174 1.00 0.79 H new ATOM 0 HB ILE A 32 -0.312 -8.030 -1.726 1.00 0.65 H new ATOM 0 HG12 ILE A 32 -1.867 -5.699 -3.023 1.00 0.93 H new ATOM 0 HG13 ILE A 32 -2.323 -6.396 -1.481 1.00 0.93 H new ATOM 0 HG21 ILE A 32 0.998 -6.564 -3.196 1.00 0.93 H new ATOM 0 HG22 ILE A 32 0.708 -8.158 -3.933 1.00 0.93 H new ATOM 0 HG23 ILE A 32 -0.231 -6.746 -4.471 1.00 0.93 H new ATOM 0 HD11 ILE A 32 -1.001 -4.344 -1.159 1.00 2.18 H new ATOM 0 HD12 ILE A 32 -0.122 -5.757 -0.527 1.00 2.18 H new ATOM 0 HD13 ILE A 32 0.340 -5.049 -2.093 1.00 2.18 H new ATOM 483 N LEU A 33 -2.195 -8.638 -5.434 1.00 0.96 N ATOM 484 CA LEU A 33 -1.877 -9.069 -6.782 1.00 1.16 C ATOM 485 C LEU A 33 -0.936 -8.062 -7.449 1.00 1.06 C ATOM 486 O LEU A 33 -0.125 -8.465 -8.280 1.00 1.11 O ATOM 487 CB LEU A 33 -3.161 -9.395 -7.560 1.00 1.44 C ATOM 488 CG LEU A 33 -4.054 -8.192 -7.909 1.00 1.14 C ATOM 489 CD1 LEU A 33 -3.750 -7.649 -9.311 1.00 2.13 C ATOM 490 CD2 LEU A 33 -5.528 -8.603 -7.832 1.00 1.79 C ATOM 0 H LEU A 33 -2.888 -7.891 -5.399 1.00 0.96 H new ATOM 0 HA LEU A 33 -1.321 -10.006 -6.766 1.00 1.16 H new ATOM 0 HB2 LEU A 33 -2.885 -9.899 -8.486 1.00 1.44 H new ATOM 0 HB3 LEU A 33 -3.749 -10.102 -6.975 1.00 1.44 H new ATOM 0 HG LEU A 33 -3.846 -7.402 -7.187 1.00 1.14 H new ATOM 0 HD11 LEU A 33 -4.401 -6.800 -9.521 1.00 2.13 H new ATOM 0 HD12 LEU A 33 -2.709 -7.329 -9.360 1.00 2.13 H new ATOM 0 HD13 LEU A 33 -3.924 -8.431 -10.050 1.00 2.13 H new ATOM 0 HD21 LEU A 33 -6.157 -7.748 -8.080 1.00 1.79 H new ATOM 0 HD22 LEU A 33 -5.718 -9.411 -8.539 1.00 1.79 H new ATOM 0 HD23 LEU A 33 -5.759 -8.943 -6.822 1.00 1.79 H new ATOM 502 N TYR A 34 -0.993 -6.768 -7.087 1.00 0.97 N ATOM 503 CA TYR A 34 -0.020 -5.796 -7.573 1.00 0.96 C ATOM 504 C TYR A 34 0.059 -4.613 -6.600 1.00 0.85 C ATOM 505 O TYR A 34 -0.849 -4.420 -5.792 1.00 1.14 O ATOM 506 CB TYR A 34 -0.406 -5.376 -9.000 1.00 1.10 C ATOM 507 CG TYR A 34 0.495 -4.352 -9.652 1.00 1.11 C ATOM 508 CD1 TYR A 34 1.695 -4.759 -10.263 1.00 2.55 C ATOM 509 CD2 TYR A 34 0.108 -3.000 -9.698 1.00 1.95 C ATOM 510 CE1 TYR A 34 2.504 -3.818 -10.920 1.00 2.57 C ATOM 511 CE2 TYR A 34 0.912 -2.063 -10.363 1.00 2.11 C ATOM 512 CZ TYR A 34 2.122 -2.467 -10.953 1.00 1.43 C ATOM 513 OH TYR A 34 2.947 -1.545 -11.522 1.00 1.68 O ATOM 0 H TYR A 34 -1.701 -6.381 -6.463 1.00 0.97 H new ATOM 0 HA TYR A 34 0.978 -6.232 -7.618 1.00 0.96 H new ATOM 0 HB2 TYR A 34 -0.425 -6.267 -9.628 1.00 1.10 H new ATOM 0 HB3 TYR A 34 -1.421 -4.978 -8.979 1.00 1.10 H new ATOM 0 HD1 TYR A 34 1.994 -5.796 -10.227 1.00 2.55 H new ATOM 0 HD2 TYR A 34 -0.808 -2.684 -9.221 1.00 1.95 H new ATOM 0 HE1 TYR A 34 3.419 -4.133 -11.399 1.00 2.57 H new ATOM 0 HE2 TYR A 34 0.601 -1.030 -10.422 1.00 2.11 H new ATOM 0 HH TYR A 34 3.109 -0.815 -10.888 1.00 1.68 H new ATOM 523 N CYS A 35 1.128 -3.818 -6.684 1.00 0.61 N ATOM 524 CA CYS A 35 1.278 -2.562 -5.958 1.00 0.55 C ATOM 525 C CYS A 35 1.994 -1.569 -6.866 1.00 0.63 C ATOM 526 O CYS A 35 2.818 -1.974 -7.687 1.00 0.93 O ATOM 527 CB CYS A 35 2.110 -2.762 -4.685 1.00 0.61 C ATOM 528 SG CYS A 35 2.195 -1.202 -3.779 1.00 2.02 S ATOM 0 H CYS A 35 1.931 -4.038 -7.274 1.00 0.61 H new ATOM 0 HA CYS A 35 0.293 -2.194 -5.672 1.00 0.55 H new ATOM 0 HB2 CYS A 35 1.661 -3.535 -4.061 1.00 0.61 H new ATOM 0 HB3 CYS A 35 3.113 -3.102 -4.942 1.00 0.61 H new ATOM 0 HG CYS A 35 1.208 -0.437 -4.139 1.00 2.02 H new ATOM 534 N SER A 36 1.715 -0.274 -6.730 1.00 0.54 N ATOM 535 CA SER A 36 2.631 0.775 -7.156 1.00 0.71 C ATOM 536 C SER A 36 2.472 1.940 -6.193 1.00 0.55 C ATOM 537 O SER A 36 1.346 2.270 -5.828 1.00 0.75 O ATOM 538 CB SER A 36 2.332 1.202 -8.594 1.00 1.08 C ATOM 539 OG SER A 36 2.730 0.176 -9.477 1.00 2.14 O ATOM 0 H SER A 36 0.848 0.074 -6.321 1.00 0.54 H new ATOM 0 HA SER A 36 3.660 0.415 -7.141 1.00 0.71 H new ATOM 0 HB2 SER A 36 1.268 1.406 -8.711 1.00 1.08 H new ATOM 0 HB3 SER A 36 2.861 2.125 -8.829 1.00 1.08 H new ATOM 0 HG SER A 36 2.100 -0.572 -9.415 1.00 2.14 H new ATOM 545 N VAL A 37 3.581 2.544 -5.763 1.00 0.50 N ATOM 546 CA VAL A 37 3.575 3.652 -4.827 1.00 0.44 C ATOM 547 C VAL A 37 4.280 4.850 -5.457 1.00 0.53 C ATOM 548 O VAL A 37 5.259 4.668 -6.179 1.00 0.73 O ATOM 549 CB VAL A 37 4.201 3.192 -3.498 1.00 0.53 C ATOM 550 CG1 VAL A 37 3.686 1.825 -3.044 1.00 1.74 C ATOM 551 CG2 VAL A 37 5.713 3.009 -3.577 1.00 1.76 C ATOM 0 H VAL A 37 4.516 2.269 -6.063 1.00 0.50 H new ATOM 0 HA VAL A 37 2.559 3.975 -4.600 1.00 0.44 H new ATOM 0 HB VAL A 37 3.924 3.989 -2.808 1.00 0.53 H new ATOM 0 HG11 VAL A 37 4.161 1.552 -2.102 1.00 1.74 H new ATOM 0 HG12 VAL A 37 2.606 1.871 -2.905 1.00 1.74 H new ATOM 0 HG13 VAL A 37 3.923 1.077 -3.801 1.00 1.74 H new ATOM 0 HG21 VAL A 37 6.091 2.684 -2.608 1.00 1.76 H new ATOM 0 HG22 VAL A 37 5.950 2.257 -4.330 1.00 1.76 H new ATOM 0 HG23 VAL A 37 6.180 3.955 -3.850 1.00 1.76 H new ATOM 561 N ALA A 38 3.770 6.063 -5.214 1.00 0.55 N ATOM 562 CA ALA A 38 4.367 7.295 -5.709 1.00 0.65 C ATOM 563 C ALA A 38 4.501 8.310 -4.582 1.00 0.66 C ATOM 564 O ALA A 38 3.557 8.563 -3.832 1.00 0.65 O ATOM 565 CB ALA A 38 3.555 7.888 -6.854 1.00 0.72 C ATOM 0 H ALA A 38 2.924 6.211 -4.663 1.00 0.55 H new ATOM 0 HA ALA A 38 5.359 7.052 -6.090 1.00 0.65 H new ATOM 0 HB1 ALA A 38 4.029 8.807 -7.199 1.00 0.72 H new ATOM 0 HB2 ALA A 38 3.508 7.173 -7.675 1.00 0.72 H new ATOM 0 HB3 ALA A 38 2.545 8.109 -6.508 1.00 0.72 H new ATOM 571 N LEU A 39 5.699 8.885 -4.487 1.00 0.70 N ATOM 572 CA LEU A 39 6.093 9.773 -3.404 1.00 0.70 C ATOM 573 C LEU A 39 5.394 11.128 -3.525 1.00 0.76 C ATOM 574 O LEU A 39 5.038 11.723 -2.510 1.00 0.80 O ATOM 575 CB LEU A 39 7.626 9.873 -3.325 1.00 0.87 C ATOM 576 CG LEU A 39 8.296 10.533 -4.546 1.00 1.36 C ATOM 577 CD1 LEU A 39 8.564 12.023 -4.296 1.00 2.27 C ATOM 578 CD2 LEU A 39 9.631 9.843 -4.845 1.00 1.90 C ATOM 0 H LEU A 39 6.436 8.741 -5.178 1.00 0.70 H new ATOM 0 HA LEU A 39 5.762 9.354 -2.454 1.00 0.70 H new ATOM 0 HB2 LEU A 39 7.893 10.438 -2.432 1.00 0.87 H new ATOM 0 HB3 LEU A 39 8.035 8.870 -3.202 1.00 0.87 H new ATOM 0 HG LEU A 39 7.616 10.430 -5.392 1.00 1.36 H new ATOM 0 HD11 LEU A 39 9.037 12.460 -5.175 1.00 2.27 H new ATOM 0 HD12 LEU A 39 7.622 12.534 -4.099 1.00 2.27 H new ATOM 0 HD13 LEU A 39 9.224 12.135 -3.436 1.00 2.27 H new ATOM 0 HD21 LEU A 39 10.099 10.315 -5.709 1.00 1.90 H new ATOM 0 HD22 LEU A 39 10.289 9.934 -3.981 1.00 1.90 H new ATOM 0 HD23 LEU A 39 9.456 8.788 -5.058 1.00 1.90 H new ATOM 590 N ALA A 40 5.157 11.592 -4.757 1.00 0.87 N ATOM 591 CA ALA A 40 4.584 12.903 -5.048 1.00 1.03 C ATOM 592 C ALA A 40 3.269 13.146 -4.300 1.00 0.97 C ATOM 593 O ALA A 40 3.085 14.197 -3.696 1.00 1.18 O ATOM 594 CB ALA A 40 4.385 13.045 -6.560 1.00 1.21 C ATOM 0 H ALA A 40 5.365 11.051 -5.596 1.00 0.87 H new ATOM 0 HA ALA A 40 5.283 13.662 -4.696 1.00 1.03 H new ATOM 0 HB1 ALA A 40 3.957 14.023 -6.780 1.00 1.21 H new ATOM 0 HB2 ALA A 40 5.346 12.947 -7.064 1.00 1.21 H new ATOM 0 HB3 ALA A 40 3.710 12.266 -6.913 1.00 1.21 H new ATOM 600 N THR A 41 2.360 12.168 -4.334 1.00 0.86 N ATOM 601 CA THR A 41 1.104 12.196 -3.589 1.00 0.95 C ATOM 602 C THR A 41 1.191 11.296 -2.346 1.00 0.84 C ATOM 603 O THR A 41 0.174 10.964 -1.741 1.00 1.03 O ATOM 604 CB THR A 41 -0.022 11.769 -4.538 1.00 1.20 C ATOM 605 OG1 THR A 41 0.387 10.655 -5.312 1.00 2.44 O ATOM 606 CG2 THR A 41 -0.395 12.910 -5.490 1.00 2.04 C ATOM 0 H THR A 41 2.481 11.321 -4.890 1.00 0.86 H new ATOM 0 HA THR A 41 0.897 13.202 -3.224 1.00 0.95 H new ATOM 0 HB THR A 41 -0.887 11.506 -3.929 1.00 1.20 H new ATOM 0 HG1 THR A 41 0.920 10.964 -6.074 1.00 2.44 H new ATOM 0 HG21 THR A 41 -1.196 12.583 -6.153 1.00 2.04 H new ATOM 0 HG22 THR A 41 -0.731 13.771 -4.912 1.00 2.04 H new ATOM 0 HG23 THR A 41 0.476 13.189 -6.083 1.00 2.04 H new ATOM 614 N ASN A 42 2.419 10.909 -1.987 1.00 0.70 N ATOM 615 CA ASN A 42 2.818 9.973 -0.949 1.00 0.57 C ATOM 616 C ASN A 42 1.823 8.834 -0.784 1.00 0.50 C ATOM 617 O ASN A 42 1.475 8.505 0.347 1.00 0.58 O ATOM 618 CB ASN A 42 3.144 10.712 0.371 1.00 0.60 C ATOM 619 CG ASN A 42 4.548 10.388 0.884 1.00 1.48 C ATOM 620 OD1 ASN A 42 4.733 9.917 2.005 1.00 3.17 O ATOM 621 ND2 ASN A 42 5.561 10.653 0.068 1.00 1.65 N ATOM 0 H ASN A 42 3.235 11.286 -2.469 1.00 0.70 H new ATOM 0 HA ASN A 42 3.743 9.493 -1.268 1.00 0.57 H new ATOM 0 HB2 ASN A 42 3.055 11.787 0.215 1.00 0.60 H new ATOM 0 HB3 ASN A 42 2.410 10.439 1.129 1.00 0.60 H new ATOM 0 HD21 ASN A 42 6.518 10.466 0.366 1.00 1.65 H new ATOM 0 HD22 ASN A 42 5.382 11.043 -0.857 1.00 1.65 H new ATOM 628 N LYS A 43 1.369 8.213 -1.883 1.00 0.58 N ATOM 629 CA LYS A 43 0.367 7.168 -1.792 1.00 0.63 C ATOM 630 C LYS A 43 0.813 5.884 -2.464 1.00 0.47 C ATOM 631 O LYS A 43 1.510 5.902 -3.478 1.00 0.62 O ATOM 632 CB LYS A 43 -1.032 7.641 -2.213 1.00 1.22 C ATOM 633 CG LYS A 43 -1.190 8.106 -3.662 1.00 1.44 C ATOM 634 CD LYS A 43 -2.661 8.033 -4.117 1.00 1.98 C ATOM 635 CE LYS A 43 -3.644 8.797 -3.198 1.00 2.85 C ATOM 636 NZ LYS A 43 -5.068 8.697 -3.618 1.00 3.61 N ATOM 0 H LYS A 43 1.683 8.421 -2.831 1.00 0.58 H new ATOM 0 HA LYS A 43 0.267 6.922 -0.735 1.00 0.63 H new ATOM 0 HB2 LYS A 43 -1.734 6.826 -2.038 1.00 1.22 H new ATOM 0 HB3 LYS A 43 -1.326 8.461 -1.558 1.00 1.22 H new ATOM 0 HG2 LYS A 43 -0.828 9.129 -3.759 1.00 1.44 H new ATOM 0 HG3 LYS A 43 -0.574 7.486 -4.314 1.00 1.44 H new ATOM 0 HD2 LYS A 43 -2.738 8.434 -5.127 1.00 1.98 H new ATOM 0 HD3 LYS A 43 -2.964 6.987 -4.166 1.00 1.98 H new ATOM 0 HE2 LYS A 43 -3.548 8.414 -2.182 1.00 2.85 H new ATOM 0 HE3 LYS A 43 -3.357 9.848 -3.171 1.00 2.85 H new ATOM 0 HZ1 LYS A 43 -5.630 9.411 -3.112 1.00 3.61 H new ATOM 0 HZ2 LYS A 43 -5.140 8.862 -4.642 1.00 3.61 H new ATOM 0 HZ3 LYS A 43 -5.430 7.748 -3.394 1.00 3.61 H new ATOM 650 N ALA A 44 0.396 4.778 -1.850 1.00 0.52 N ATOM 651 CA ALA A 44 0.526 3.429 -2.342 1.00 0.55 C ATOM 652 C ALA A 44 -0.829 3.041 -2.891 1.00 0.60 C ATOM 653 O ALA A 44 -1.834 3.267 -2.220 1.00 0.65 O ATOM 654 CB ALA A 44 0.974 2.519 -1.197 1.00 0.62 C ATOM 0 H ALA A 44 -0.068 4.814 -0.942 1.00 0.52 H new ATOM 0 HA ALA A 44 1.276 3.338 -3.128 1.00 0.55 H new ATOM 0 HB1 ALA A 44 1.074 1.497 -1.562 1.00 0.62 H new ATOM 0 HB2 ALA A 44 1.934 2.863 -0.813 1.00 0.62 H new ATOM 0 HB3 ALA A 44 0.233 2.548 -0.398 1.00 0.62 H new ATOM 660 N HIS A 45 -0.847 2.517 -4.117 1.00 0.64 N ATOM 661 CA HIS A 45 -1.992 2.017 -4.817 1.00 0.55 C ATOM 662 C HIS A 45 -1.746 0.520 -4.764 1.00 0.49 C ATOM 663 O HIS A 45 -0.798 0.015 -5.369 1.00 0.60 O ATOM 664 CB HIS A 45 -2.025 2.674 -6.210 1.00 0.74 C ATOM 665 CG HIS A 45 -2.343 1.790 -7.386 1.00 0.89 C ATOM 666 ND1 HIS A 45 -1.854 1.975 -8.659 1.00 1.81 N ATOM 667 CD2 HIS A 45 -3.119 0.664 -7.393 1.00 1.02 C ATOM 668 CE1 HIS A 45 -2.321 0.971 -9.417 1.00 2.35 C ATOM 669 NE2 HIS A 45 -3.093 0.148 -8.691 1.00 1.86 N ATOM 0 H HIS A 45 0.006 2.433 -4.670 1.00 0.64 H new ATOM 0 HA HIS A 45 -2.981 2.239 -4.417 1.00 0.55 H new ATOM 0 HB2 HIS A 45 -2.760 3.479 -6.185 1.00 0.74 H new ATOM 0 HB3 HIS A 45 -1.053 3.135 -6.388 1.00 0.74 H new ATOM 0 HD1 HIS A 45 -1.248 2.735 -8.969 1.00 1.81 H new ATOM 0 HD2 HIS A 45 -3.653 0.250 -6.551 1.00 1.02 H new ATOM 0 HE1 HIS A 45 -2.105 0.843 -10.467 1.00 2.35 H new ATOM 677 N ILE A 46 -2.573 -0.150 -3.971 1.00 0.47 N ATOM 678 CA ILE A 46 -2.547 -1.573 -3.733 1.00 0.44 C ATOM 679 C ILE A 46 -3.655 -2.165 -4.596 1.00 0.49 C ATOM 680 O ILE A 46 -4.770 -1.639 -4.629 1.00 0.69 O ATOM 681 CB ILE A 46 -2.763 -1.828 -2.228 1.00 0.45 C ATOM 682 CG1 ILE A 46 -1.435 -1.779 -1.454 1.00 0.71 C ATOM 683 CG2 ILE A 46 -3.431 -3.183 -1.981 1.00 0.83 C ATOM 684 CD1 ILE A 46 -0.749 -0.416 -1.492 1.00 1.05 C ATOM 0 H ILE A 46 -3.317 0.317 -3.453 1.00 0.47 H new ATOM 0 HA ILE A 46 -1.597 -2.037 -3.996 1.00 0.44 H new ATOM 0 HB ILE A 46 -3.418 -1.034 -1.868 1.00 0.45 H new ATOM 0 HG12 ILE A 46 -1.620 -2.053 -0.415 1.00 0.71 H new ATOM 0 HG13 ILE A 46 -0.758 -2.528 -1.865 1.00 0.71 H new ATOM 0 HG21 ILE A 46 -3.569 -3.331 -0.910 1.00 0.83 H new ATOM 0 HG22 ILE A 46 -4.401 -3.207 -2.478 1.00 0.83 H new ATOM 0 HG23 ILE A 46 -2.800 -3.978 -2.379 1.00 0.83 H new ATOM 0 HD11 ILE A 46 0.181 -0.461 -0.924 1.00 1.05 H new ATOM 0 HD12 ILE A 46 -0.531 -0.147 -2.526 1.00 1.05 H new ATOM 0 HD13 ILE A 46 -1.406 0.335 -1.053 1.00 1.05 H new ATOM 696 N LYS A 47 -3.346 -3.259 -5.293 1.00 0.61 N ATOM 697 CA LYS A 47 -4.330 -4.062 -5.972 1.00 0.67 C ATOM 698 C LYS A 47 -4.370 -5.394 -5.239 1.00 0.65 C ATOM 699 O LYS A 47 -3.353 -6.090 -5.206 1.00 0.87 O ATOM 700 CB LYS A 47 -3.908 -4.241 -7.425 1.00 0.83 C ATOM 701 CG LYS A 47 -3.728 -2.894 -8.151 1.00 0.86 C ATOM 702 CD LYS A 47 -3.857 -3.189 -9.659 1.00 1.16 C ATOM 703 CE LYS A 47 -4.162 -1.960 -10.526 1.00 1.63 C ATOM 704 NZ LYS A 47 -4.887 -2.335 -11.756 1.00 2.20 N ATOM 0 H LYS A 47 -2.392 -3.605 -5.395 1.00 0.61 H new ATOM 0 HA LYS A 47 -5.318 -3.601 -5.972 1.00 0.67 H new ATOM 0 HB2 LYS A 47 -2.973 -4.800 -7.463 1.00 0.83 H new ATOM 0 HB3 LYS A 47 -4.657 -4.836 -7.948 1.00 0.83 H new ATOM 0 HG2 LYS A 47 -4.483 -2.176 -7.830 1.00 0.86 H new ATOM 0 HG3 LYS A 47 -2.756 -2.457 -7.923 1.00 0.86 H new ATOM 0 HD2 LYS A 47 -2.929 -3.642 -10.008 1.00 1.16 H new ATOM 0 HD3 LYS A 47 -4.647 -3.926 -9.806 1.00 1.16 H new ATOM 0 HE2 LYS A 47 -4.757 -1.248 -9.954 1.00 1.63 H new ATOM 0 HE3 LYS A 47 -3.231 -1.458 -10.789 1.00 1.63 H new ATOM 0 HZ1 LYS A 47 -5.078 -1.482 -12.320 1.00 2.20 H new ATOM 0 HZ2 LYS A 47 -4.308 -2.996 -12.313 1.00 2.20 H new ATOM 0 HZ3 LYS A 47 -5.787 -2.792 -11.503 1.00 2.20 H new ATOM 718 N TYR A 48 -5.510 -5.724 -4.626 1.00 0.77 N ATOM 719 CA TYR A 48 -5.676 -6.952 -3.865 1.00 0.75 C ATOM 720 C TYR A 48 -6.848 -7.770 -4.396 1.00 0.88 C ATOM 721 O TYR A 48 -7.738 -7.237 -5.059 1.00 1.18 O ATOM 722 CB TYR A 48 -5.791 -6.641 -2.362 1.00 0.84 C ATOM 723 CG TYR A 48 -7.104 -6.022 -1.922 1.00 1.08 C ATOM 724 CD1 TYR A 48 -7.346 -4.652 -2.121 1.00 1.66 C ATOM 725 CD2 TYR A 48 -8.093 -6.819 -1.319 1.00 2.55 C ATOM 726 CE1 TYR A 48 -8.608 -4.110 -1.825 1.00 2.01 C ATOM 727 CE2 TYR A 48 -9.327 -6.259 -0.952 1.00 2.85 C ATOM 728 CZ TYR A 48 -9.593 -4.909 -1.226 1.00 2.01 C ATOM 729 OH TYR A 48 -10.808 -4.371 -0.922 1.00 2.60 O ATOM 0 H TYR A 48 -6.345 -5.139 -4.648 1.00 0.77 H new ATOM 0 HA TYR A 48 -4.789 -7.572 -3.993 1.00 0.75 H new ATOM 0 HB2 TYR A 48 -5.641 -7.566 -1.805 1.00 0.84 H new ATOM 0 HB3 TYR A 48 -4.981 -5.967 -2.085 1.00 0.84 H new ATOM 0 HD1 TYR A 48 -6.561 -4.015 -2.502 1.00 1.66 H new ATOM 0 HD2 TYR A 48 -7.903 -7.866 -1.137 1.00 2.55 H new ATOM 0 HE1 TYR A 48 -8.820 -3.077 -2.059 1.00 2.01 H new ATOM 0 HE2 TYR A 48 -10.071 -6.867 -0.459 1.00 2.85 H new ATOM 0 HH TYR A 48 -11.376 -5.057 -0.513 1.00 2.60 H new ATOM 739 N ASP A 49 -6.832 -9.075 -4.123 1.00 0.83 N ATOM 740 CA ASP A 49 -7.911 -9.976 -4.501 1.00 1.06 C ATOM 741 C ASP A 49 -9.095 -9.669 -3.576 1.00 1.10 C ATOM 742 O ASP A 49 -8.955 -9.831 -2.363 1.00 0.92 O ATOM 743 CB ASP A 49 -7.444 -11.431 -4.367 1.00 1.07 C ATOM 744 CG ASP A 49 -6.273 -11.744 -5.288 1.00 2.01 C ATOM 745 OD1 ASP A 49 -6.499 -11.726 -6.518 1.00 2.71 O ATOM 746 OD2 ASP A 49 -5.172 -11.982 -4.746 1.00 3.04 O ATOM 0 H ASP A 49 -6.065 -9.535 -3.631 1.00 0.83 H new ATOM 0 HA ASP A 49 -8.210 -9.835 -5.540 1.00 1.06 H new ATOM 0 HB2 ASP A 49 -7.154 -11.624 -3.334 1.00 1.07 H new ATOM 0 HB3 ASP A 49 -8.274 -12.100 -4.596 1.00 1.07 H new ATOM 751 N PRO A 50 -10.248 -9.197 -4.084 1.00 1.56 N ATOM 752 CA PRO A 50 -11.218 -8.430 -3.297 1.00 1.81 C ATOM 753 C PRO A 50 -12.070 -9.247 -2.306 1.00 1.51 C ATOM 754 O PRO A 50 -13.181 -8.829 -1.963 1.00 1.82 O ATOM 755 CB PRO A 50 -12.078 -7.705 -4.344 1.00 2.46 C ATOM 756 CG PRO A 50 -12.035 -8.653 -5.539 1.00 2.48 C ATOM 757 CD PRO A 50 -10.593 -9.154 -5.495 1.00 2.04 C ATOM 0 HA PRO A 50 -10.692 -7.751 -2.626 1.00 1.81 H new ATOM 0 HB2 PRO A 50 -13.097 -7.547 -3.990 1.00 2.46 H new ATOM 0 HB3 PRO A 50 -11.671 -6.725 -4.592 1.00 2.46 H new ATOM 0 HG2 PRO A 50 -12.753 -9.467 -5.440 1.00 2.48 H new ATOM 0 HG3 PRO A 50 -12.261 -8.141 -6.474 1.00 2.48 H new ATOM 0 HD2 PRO A 50 -10.504 -10.139 -5.952 1.00 2.04 H new ATOM 0 HD3 PRO A 50 -9.927 -8.487 -6.043 1.00 2.04 H new ATOM 765 N GLU A 51 -11.552 -10.380 -1.819 1.00 1.23 N ATOM 766 CA GLU A 51 -12.225 -11.288 -0.898 1.00 1.20 C ATOM 767 C GLU A 51 -11.316 -11.763 0.248 1.00 1.08 C ATOM 768 O GLU A 51 -11.799 -11.985 1.357 1.00 1.50 O ATOM 769 CB GLU A 51 -12.822 -12.460 -1.691 1.00 1.51 C ATOM 770 CG GLU A 51 -11.830 -13.151 -2.641 1.00 1.92 C ATOM 771 CD GLU A 51 -12.510 -14.296 -3.379 1.00 2.65 C ATOM 772 OE1 GLU A 51 -13.059 -14.025 -4.468 1.00 2.92 O ATOM 773 OE2 GLU A 51 -12.487 -15.416 -2.825 1.00 3.90 O ATOM 0 H GLU A 51 -10.615 -10.697 -2.069 1.00 1.23 H new ATOM 0 HA GLU A 51 -13.032 -10.742 -0.409 1.00 1.20 H new ATOM 0 HB2 GLU A 51 -13.209 -13.198 -0.989 1.00 1.51 H new ATOM 0 HB3 GLU A 51 -13.670 -12.096 -2.272 1.00 1.51 H new ATOM 0 HG2 GLU A 51 -11.440 -12.428 -3.358 1.00 1.92 H new ATOM 0 HG3 GLU A 51 -10.979 -13.530 -2.075 1.00 1.92 H new ATOM 780 N ILE A 52 -10.015 -11.956 -0.004 1.00 0.91 N ATOM 781 CA ILE A 52 -9.118 -12.673 0.885 1.00 0.97 C ATOM 782 C ILE A 52 -8.617 -11.769 2.020 1.00 0.83 C ATOM 783 O ILE A 52 -8.535 -12.204 3.166 1.00 1.10 O ATOM 784 CB ILE A 52 -8.015 -13.290 -0.001 1.00 1.36 C ATOM 785 CG1 ILE A 52 -7.275 -14.495 0.596 1.00 1.58 C ATOM 786 CG2 ILE A 52 -7.030 -12.265 -0.575 1.00 3.34 C ATOM 787 CD1 ILE A 52 -6.520 -14.200 1.891 1.00 2.49 C ATOM 0 H ILE A 52 -9.558 -11.609 -0.847 1.00 0.91 H new ATOM 0 HA ILE A 52 -9.620 -13.483 1.415 1.00 0.97 H new ATOM 0 HB ILE A 52 -8.594 -13.690 -0.833 1.00 1.36 H new ATOM 0 HG12 ILE A 52 -7.996 -15.291 0.784 1.00 1.58 H new ATOM 0 HG13 ILE A 52 -6.569 -14.873 -0.143 1.00 1.58 H new ATOM 0 HG21 ILE A 52 -6.286 -12.777 -1.186 1.00 3.34 H new ATOM 0 HG22 ILE A 52 -7.571 -11.545 -1.190 1.00 3.34 H new ATOM 0 HG23 ILE A 52 -6.531 -11.743 0.242 1.00 3.34 H new ATOM 0 HD11 ILE A 52 -6.028 -15.108 2.240 1.00 2.49 H new ATOM 0 HD12 ILE A 52 -5.772 -13.429 1.708 1.00 2.49 H new ATOM 0 HD13 ILE A 52 -7.221 -13.853 2.650 1.00 2.49 H new ATOM 799 N ILE A 53 -8.279 -10.516 1.710 1.00 0.74 N ATOM 800 CA ILE A 53 -7.577 -9.615 2.619 1.00 0.78 C ATOM 801 C ILE A 53 -8.235 -8.240 2.551 1.00 0.63 C ATOM 802 O ILE A 53 -8.924 -7.954 1.573 1.00 0.66 O ATOM 803 CB ILE A 53 -6.089 -9.617 2.228 1.00 0.92 C ATOM 804 CG1 ILE A 53 -5.243 -9.082 3.383 1.00 1.43 C ATOM 805 CG2 ILE A 53 -5.826 -8.856 0.919 1.00 0.94 C ATOM 806 CD1 ILE A 53 -3.752 -9.311 3.154 1.00 1.09 C ATOM 0 H ILE A 53 -8.490 -10.094 0.805 1.00 0.74 H new ATOM 0 HA ILE A 53 -7.639 -9.934 3.659 1.00 0.78 H new ATOM 0 HB ILE A 53 -5.794 -10.648 2.035 1.00 0.92 H new ATOM 0 HG12 ILE A 53 -5.431 -8.015 3.506 1.00 1.43 H new ATOM 0 HG13 ILE A 53 -5.546 -9.568 4.310 1.00 1.43 H new ATOM 0 HG21 ILE A 53 -4.761 -8.887 0.688 1.00 0.94 H new ATOM 0 HG22 ILE A 53 -6.387 -9.321 0.109 1.00 0.94 H new ATOM 0 HG23 ILE A 53 -6.143 -7.819 1.031 1.00 0.94 H new ATOM 0 HD11 ILE A 53 -3.189 -8.915 3.999 1.00 1.09 H new ATOM 0 HD12 ILE A 53 -3.559 -10.379 3.057 1.00 1.09 H new ATOM 0 HD13 ILE A 53 -3.442 -8.802 2.241 1.00 1.09 H new ATOM 818 N GLY A 54 -8.068 -7.401 3.580 1.00 0.62 N ATOM 819 CA GLY A 54 -8.733 -6.113 3.672 1.00 0.64 C ATOM 820 C GLY A 54 -7.733 -4.964 3.792 1.00 0.57 C ATOM 821 O GLY A 54 -6.519 -5.176 3.817 1.00 0.56 O ATOM 0 H GLY A 54 -7.461 -7.606 4.374 1.00 0.62 H new ATOM 0 HA2 GLY A 54 -9.356 -5.962 2.790 1.00 0.64 H new ATOM 0 HA3 GLY A 54 -9.397 -6.108 4.536 1.00 0.64 H new ATOM 825 N PRO A 55 -8.242 -3.724 3.907 1.00 0.60 N ATOM 826 CA PRO A 55 -7.424 -2.563 4.207 1.00 0.58 C ATOM 827 C PRO A 55 -6.674 -2.763 5.526 1.00 0.54 C ATOM 828 O PRO A 55 -5.512 -2.391 5.635 1.00 0.52 O ATOM 829 CB PRO A 55 -8.383 -1.368 4.241 1.00 0.69 C ATOM 830 CG PRO A 55 -9.742 -1.995 4.552 1.00 0.75 C ATOM 831 CD PRO A 55 -9.653 -3.367 3.883 1.00 0.71 C ATOM 0 HA PRO A 55 -6.650 -2.396 3.458 1.00 0.58 H new ATOM 0 HB2 PRO A 55 -8.093 -0.645 5.003 1.00 0.69 H new ATOM 0 HB3 PRO A 55 -8.396 -0.839 3.288 1.00 0.69 H new ATOM 0 HG2 PRO A 55 -9.910 -2.080 5.626 1.00 0.75 H new ATOM 0 HG3 PRO A 55 -10.562 -1.402 4.147 1.00 0.75 H new ATOM 0 HD2 PRO A 55 -10.253 -4.103 4.418 1.00 0.71 H new ATOM 0 HD3 PRO A 55 -10.031 -3.330 2.861 1.00 0.71 H new ATOM 839 N ARG A 56 -7.334 -3.350 6.526 1.00 0.60 N ATOM 840 CA ARG A 56 -6.777 -3.548 7.855 1.00 0.66 C ATOM 841 C ARG A 56 -5.404 -4.231 7.809 1.00 0.63 C ATOM 842 O ARG A 56 -4.456 -3.774 8.453 1.00 0.65 O ATOM 843 CB ARG A 56 -7.782 -4.342 8.706 1.00 0.81 C ATOM 844 CG ARG A 56 -7.322 -4.574 10.151 1.00 1.92 C ATOM 845 CD ARG A 56 -7.148 -3.263 10.927 1.00 3.06 C ATOM 846 NE ARG A 56 -6.588 -3.511 12.259 1.00 4.31 N ATOM 847 CZ ARG A 56 -7.242 -3.830 13.383 1.00 5.12 C ATOM 848 NH1 ARG A 56 -8.573 -3.963 13.381 1.00 4.89 N ATOM 849 NH2 ARG A 56 -6.529 -4.017 14.496 1.00 6.63 N ATOM 0 H ARG A 56 -8.285 -3.705 6.428 1.00 0.60 H new ATOM 0 HA ARG A 56 -6.610 -2.574 8.315 1.00 0.66 H new ATOM 0 HB2 ARG A 56 -8.733 -3.810 8.718 1.00 0.81 H new ATOM 0 HB3 ARG A 56 -7.962 -5.307 8.233 1.00 0.81 H new ATOM 0 HG2 ARG A 56 -8.049 -5.203 10.664 1.00 1.92 H new ATOM 0 HG3 ARG A 56 -6.377 -5.118 10.146 1.00 1.92 H new ATOM 0 HD2 ARG A 56 -6.492 -2.592 10.372 1.00 3.06 H new ATOM 0 HD3 ARG A 56 -8.111 -2.761 11.021 1.00 3.06 H new ATOM 0 HE ARG A 56 -5.574 -3.431 12.339 1.00 4.31 H new ATOM 0 HH11 ARG A 56 -9.098 -3.821 12.518 1.00 4.89 H new ATOM 0 HH12 ARG A 56 -9.063 -4.206 14.242 1.00 4.89 H new ATOM 0 HH21 ARG A 56 -5.514 -3.916 14.475 1.00 6.63 H new ATOM 0 HH22 ARG A 56 -6.999 -4.261 15.368 1.00 6.63 H new ATOM 863 N ASP A 57 -5.298 -5.336 7.068 1.00 0.64 N ATOM 864 CA ASP A 57 -4.081 -6.131 7.024 1.00 0.67 C ATOM 865 C ASP A 57 -2.945 -5.288 6.443 1.00 0.62 C ATOM 866 O ASP A 57 -1.872 -5.157 7.040 1.00 0.67 O ATOM 867 CB ASP A 57 -4.327 -7.386 6.179 1.00 0.74 C ATOM 868 CG ASP A 57 -5.690 -8.016 6.444 1.00 1.47 C ATOM 869 OD1 ASP A 57 -6.675 -7.438 5.936 1.00 2.65 O ATOM 870 OD2 ASP A 57 -5.722 -9.042 7.159 1.00 2.44 O ATOM 0 H ASP A 57 -6.053 -5.699 6.486 1.00 0.64 H new ATOM 0 HA ASP A 57 -3.797 -6.442 8.029 1.00 0.67 H new ATOM 0 HB2 ASP A 57 -4.249 -7.129 5.123 1.00 0.74 H new ATOM 0 HB3 ASP A 57 -3.546 -8.118 6.387 1.00 0.74 H new ATOM 875 N ILE A 58 -3.208 -4.684 5.278 1.00 0.58 N ATOM 876 CA ILE A 58 -2.285 -3.769 4.617 1.00 0.56 C ATOM 877 C ILE A 58 -1.860 -2.693 5.607 1.00 0.53 C ATOM 878 O ILE A 58 -0.679 -2.381 5.712 1.00 0.53 O ATOM 879 CB ILE A 58 -2.942 -3.106 3.397 1.00 0.55 C ATOM 880 CG1 ILE A 58 -3.318 -4.148 2.335 1.00 0.51 C ATOM 881 CG2 ILE A 58 -2.019 -2.039 2.781 1.00 0.65 C ATOM 882 CD1 ILE A 58 -4.453 -3.581 1.486 1.00 1.42 C ATOM 0 H ILE A 58 -4.079 -4.822 4.766 1.00 0.58 H new ATOM 0 HA ILE A 58 -1.419 -4.335 4.274 1.00 0.56 H new ATOM 0 HB ILE A 58 -3.854 -2.620 3.744 1.00 0.55 H new ATOM 0 HG12 ILE A 58 -2.456 -4.381 1.710 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -3.628 -5.079 2.810 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -2.510 -1.587 1.919 1.00 0.65 H new ATOM 0 HG22 ILE A 58 -1.807 -1.269 3.523 1.00 0.65 H new ATOM 0 HG23 ILE A 58 -1.086 -2.504 2.464 1.00 0.65 H new ATOM 0 HD11 ILE A 58 -4.735 -4.307 0.724 1.00 1.42 H new ATOM 0 HD12 ILE A 58 -5.313 -3.370 2.122 1.00 1.42 H new ATOM 0 HD13 ILE A 58 -4.123 -2.660 1.005 1.00 1.42 H new ATOM 894 N ILE A 59 -2.822 -2.104 6.313 1.00 0.52 N ATOM 895 CA ILE A 59 -2.556 -1.012 7.222 1.00 0.51 C ATOM 896 C ILE A 59 -1.504 -1.434 8.248 1.00 0.52 C ATOM 897 O ILE A 59 -0.448 -0.812 8.338 1.00 0.50 O ATOM 898 CB ILE A 59 -3.878 -0.492 7.816 1.00 0.51 C ATOM 899 CG1 ILE A 59 -4.545 0.401 6.754 1.00 0.53 C ATOM 900 CG2 ILE A 59 -3.699 0.229 9.160 1.00 0.53 C ATOM 901 CD1 ILE A 59 -6.024 0.637 7.036 1.00 0.54 C ATOM 0 H ILE A 59 -3.804 -2.376 6.265 1.00 0.52 H new ATOM 0 HA ILE A 59 -2.121 -0.161 6.697 1.00 0.51 H new ATOM 0 HB ILE A 59 -4.522 -1.338 8.054 1.00 0.51 H new ATOM 0 HG12 ILE A 59 -4.028 1.360 6.714 1.00 0.53 H new ATOM 0 HG13 ILE A 59 -4.435 -0.062 5.773 1.00 0.53 H new ATOM 0 HG21 ILE A 59 -4.669 0.570 9.522 1.00 0.53 H new ATOM 0 HG22 ILE A 59 -3.261 -0.457 9.885 1.00 0.53 H new ATOM 0 HG23 ILE A 59 -3.039 1.087 9.028 1.00 0.53 H new ATOM 0 HD11 ILE A 59 -6.446 1.273 6.257 1.00 0.54 H new ATOM 0 HD12 ILE A 59 -6.549 -0.318 7.049 1.00 0.54 H new ATOM 0 HD13 ILE A 59 -6.136 1.126 8.004 1.00 0.54 H new ATOM 913 N HIS A 60 -1.743 -2.536 8.962 1.00 0.57 N ATOM 914 CA HIS A 60 -0.802 -2.979 9.985 1.00 0.61 C ATOM 915 C HIS A 60 0.538 -3.359 9.357 1.00 0.56 C ATOM 916 O HIS A 60 1.602 -3.107 9.928 1.00 0.57 O ATOM 917 CB HIS A 60 -1.411 -4.110 10.821 1.00 0.79 C ATOM 918 CG HIS A 60 -2.461 -3.632 11.797 1.00 1.39 C ATOM 919 ND1 HIS A 60 -2.607 -2.346 12.270 1.00 2.83 N ATOM 920 CD2 HIS A 60 -3.349 -4.421 12.476 1.00 1.62 C ATOM 921 CE1 HIS A 60 -3.562 -2.361 13.211 1.00 3.15 C ATOM 922 NE2 HIS A 60 -4.062 -3.603 13.366 1.00 2.36 N ATOM 0 H HIS A 60 -2.567 -3.128 8.852 1.00 0.57 H new ATOM 0 HA HIS A 60 -0.602 -2.154 10.669 1.00 0.61 H new ATOM 0 HB2 HIS A 60 -1.855 -4.848 10.153 1.00 0.79 H new ATOM 0 HB3 HIS A 60 -0.617 -4.615 11.371 1.00 0.79 H new ATOM 0 HD1 HIS A 60 -2.082 -1.528 11.960 1.00 2.83 H new ATOM 0 HD2 HIS A 60 -3.478 -5.486 12.349 1.00 1.62 H new ATOM 0 HE1 HIS A 60 -3.887 -1.495 13.769 1.00 3.15 H new ATOM 930 N THR A 61 0.496 -3.920 8.150 1.00 0.56 N ATOM 931 CA THR A 61 1.707 -4.203 7.399 1.00 0.59 C ATOM 932 C THR A 61 2.510 -2.909 7.163 1.00 0.56 C ATOM 933 O THR A 61 3.698 -2.850 7.475 1.00 0.62 O ATOM 934 CB THR A 61 1.330 -4.954 6.115 1.00 0.64 C ATOM 935 OG1 THR A 61 0.643 -6.142 6.451 1.00 0.75 O ATOM 936 CG2 THR A 61 2.549 -5.346 5.274 1.00 0.72 C ATOM 0 H THR A 61 -0.367 -4.186 7.675 1.00 0.56 H new ATOM 0 HA THR A 61 2.374 -4.854 7.964 1.00 0.59 H new ATOM 0 HB THR A 61 0.710 -4.276 5.528 1.00 0.64 H new ATOM 0 HG1 THR A 61 -0.284 -5.928 6.688 1.00 0.75 H new ATOM 0 HG21 THR A 61 2.219 -5.874 4.379 1.00 0.72 H new ATOM 0 HG22 THR A 61 3.096 -4.448 4.985 1.00 0.72 H new ATOM 0 HG23 THR A 61 3.201 -5.995 5.859 1.00 0.72 H new ATOM 944 N ILE A 62 1.879 -1.853 6.646 1.00 0.51 N ATOM 945 CA ILE A 62 2.548 -0.585 6.372 1.00 0.51 C ATOM 946 C ILE A 62 3.051 0.060 7.669 1.00 0.49 C ATOM 947 O ILE A 62 4.174 0.566 7.702 1.00 0.51 O ATOM 948 CB ILE A 62 1.622 0.360 5.587 1.00 0.59 C ATOM 949 CG1 ILE A 62 1.273 -0.171 4.184 1.00 0.71 C ATOM 950 CG2 ILE A 62 2.251 1.755 5.484 1.00 0.68 C ATOM 951 CD1 ILE A 62 2.381 0.030 3.146 1.00 1.55 C ATOM 0 H ILE A 62 0.888 -1.856 6.406 1.00 0.51 H new ATOM 0 HA ILE A 62 3.420 -0.783 5.749 1.00 0.51 H new ATOM 0 HB ILE A 62 0.687 0.419 6.144 1.00 0.59 H new ATOM 0 HG12 ILE A 62 1.046 -1.235 4.256 1.00 0.71 H new ATOM 0 HG13 ILE A 62 0.368 0.325 3.834 1.00 0.71 H new ATOM 0 HG21 ILE A 62 1.586 2.414 4.926 1.00 0.68 H new ATOM 0 HG22 ILE A 62 2.407 2.159 6.484 1.00 0.68 H new ATOM 0 HG23 ILE A 62 3.209 1.685 4.968 1.00 0.68 H new ATOM 0 HD11 ILE A 62 2.057 -0.371 2.186 1.00 1.55 H new ATOM 0 HD12 ILE A 62 2.594 1.094 3.042 1.00 1.55 H new ATOM 0 HD13 ILE A 62 3.282 -0.490 3.470 1.00 1.55 H new ATOM 963 N GLU A 63 2.246 0.034 8.737 1.00 0.48 N ATOM 964 CA GLU A 63 2.699 0.473 10.050 1.00 0.50 C ATOM 965 C GLU A 63 3.993 -0.261 10.415 1.00 0.48 C ATOM 966 O GLU A 63 4.974 0.372 10.796 1.00 0.51 O ATOM 967 CB GLU A 63 1.605 0.255 11.101 1.00 0.61 C ATOM 968 CG GLU A 63 0.413 1.197 10.891 1.00 1.15 C ATOM 969 CD GLU A 63 -0.691 0.906 11.898 1.00 1.76 C ATOM 970 OE1 GLU A 63 -1.505 0.000 11.602 1.00 2.50 O ATOM 971 OE2 GLU A 63 -0.694 1.565 12.955 1.00 2.66 O ATOM 0 H GLU A 63 1.278 -0.287 8.712 1.00 0.48 H new ATOM 0 HA GLU A 63 2.908 1.543 10.024 1.00 0.50 H new ATOM 0 HB2 GLU A 63 1.262 -0.779 11.059 1.00 0.61 H new ATOM 0 HB3 GLU A 63 2.021 0.413 12.096 1.00 0.61 H new ATOM 0 HG2 GLU A 63 0.740 2.232 10.992 1.00 1.15 H new ATOM 0 HG3 GLU A 63 0.027 1.082 9.878 1.00 1.15 H new ATOM 978 N SER A 64 4.020 -1.586 10.238 1.00 0.49 N ATOM 979 CA SER A 64 5.227 -2.372 10.468 1.00 0.53 C ATOM 980 C SER A 64 6.390 -1.910 9.577 1.00 0.58 C ATOM 981 O SER A 64 7.521 -1.808 10.047 1.00 0.73 O ATOM 982 CB SER A 64 4.944 -3.869 10.304 1.00 0.59 C ATOM 983 OG SER A 64 3.842 -4.258 11.103 1.00 1.54 O ATOM 0 H SER A 64 3.215 -2.134 9.935 1.00 0.49 H new ATOM 0 HA SER A 64 5.538 -2.204 11.499 1.00 0.53 H new ATOM 0 HB2 SER A 64 4.738 -4.093 9.257 1.00 0.59 H new ATOM 0 HB3 SER A 64 5.826 -4.444 10.586 1.00 0.59 H new ATOM 0 HG SER A 64 3.014 -3.916 10.707 1.00 1.54 H new ATOM 989 N LEU A 65 6.138 -1.632 8.291 1.00 0.60 N ATOM 990 CA LEU A 65 7.178 -1.104 7.405 1.00 0.72 C ATOM 991 C LEU A 65 7.662 0.284 7.835 1.00 0.75 C ATOM 992 O LEU A 65 8.822 0.623 7.567 1.00 0.93 O ATOM 993 CB LEU A 65 6.732 -1.073 5.940 1.00 0.78 C ATOM 994 CG LEU A 65 6.360 -2.439 5.348 1.00 0.83 C ATOM 995 CD1 LEU A 65 6.211 -2.293 3.832 1.00 1.06 C ATOM 996 CD2 LEU A 65 7.392 -3.532 5.644 1.00 0.92 C ATOM 0 H LEU A 65 5.230 -1.763 7.846 1.00 0.60 H new ATOM 0 HA LEU A 65 8.016 -1.796 7.492 1.00 0.72 H new ATOM 0 HB2 LEU A 65 5.872 -0.409 5.851 1.00 0.78 H new ATOM 0 HB3 LEU A 65 7.533 -0.640 5.341 1.00 0.78 H new ATOM 0 HG LEU A 65 5.427 -2.749 5.817 1.00 0.83 H new ATOM 0 HD11 LEU A 65 5.947 -3.257 3.398 1.00 1.06 H new ATOM 0 HD12 LEU A 65 5.427 -1.568 3.612 1.00 1.06 H new ATOM 0 HD13 LEU A 65 7.153 -1.949 3.405 1.00 1.06 H new ATOM 0 HD21 LEU A 65 7.066 -4.471 5.196 1.00 0.92 H new ATOM 0 HD22 LEU A 65 8.356 -3.245 5.224 1.00 0.92 H new ATOM 0 HD23 LEU A 65 7.489 -3.658 6.722 1.00 0.92 H new ATOM 1008 N GLY A 66 6.791 1.070 8.475 1.00 0.68 N ATOM 1009 CA GLY A 66 7.153 2.290 9.183 1.00 0.68 C ATOM 1010 C GLY A 66 6.613 3.558 8.522 1.00 0.57 C ATOM 1011 O GLY A 66 7.315 4.568 8.502 1.00 0.66 O ATOM 0 H GLY A 66 5.792 0.866 8.513 1.00 0.68 H new ATOM 0 HA2 GLY A 66 6.777 2.233 10.205 1.00 0.68 H new ATOM 0 HA3 GLY A 66 8.239 2.356 9.246 1.00 0.68 H new ATOM 1015 N PHE A 67 5.372 3.529 8.017 1.00 0.46 N ATOM 1016 CA PHE A 67 4.678 4.719 7.527 1.00 0.46 C ATOM 1017 C PHE A 67 3.239 4.689 8.036 1.00 0.48 C ATOM 1018 O PHE A 67 2.784 3.629 8.456 1.00 0.53 O ATOM 1019 CB PHE A 67 4.700 4.764 5.994 1.00 0.55 C ATOM 1020 CG PHE A 67 6.049 4.477 5.362 1.00 0.57 C ATOM 1021 CD1 PHE A 67 7.120 5.369 5.553 1.00 1.98 C ATOM 1022 CD2 PHE A 67 6.251 3.290 4.633 1.00 1.57 C ATOM 1023 CE1 PHE A 67 8.383 5.085 5.007 1.00 1.98 C ATOM 1024 CE2 PHE A 67 7.511 3.016 4.078 1.00 1.60 C ATOM 1025 CZ PHE A 67 8.575 3.913 4.256 1.00 0.68 C ATOM 0 H PHE A 67 4.822 2.673 7.938 1.00 0.46 H new ATOM 0 HA PHE A 67 5.182 5.613 7.895 1.00 0.46 H new ATOM 0 HB2 PHE A 67 3.977 4.042 5.614 1.00 0.55 H new ATOM 0 HB3 PHE A 67 4.366 5.750 5.670 1.00 0.55 H new ATOM 0 HD1 PHE A 67 6.971 6.275 6.121 1.00 1.98 H new ATOM 0 HD2 PHE A 67 5.438 2.591 4.501 1.00 1.57 H new ATOM 0 HE1 PHE A 67 9.206 5.767 5.164 1.00 1.98 H new ATOM 0 HE2 PHE A 67 7.662 2.109 3.511 1.00 1.60 H new ATOM 0 HZ PHE A 67 9.539 3.703 3.817 1.00 0.68 H new ATOM 1035 N GLU A 68 2.514 5.813 7.975 1.00 0.52 N ATOM 1036 CA GLU A 68 1.105 5.860 8.341 1.00 0.50 C ATOM 1037 C GLU A 68 0.236 5.682 7.086 1.00 0.45 C ATOM 1038 O GLU A 68 0.216 6.588 6.252 1.00 0.48 O ATOM 1039 CB GLU A 68 0.798 7.223 8.954 1.00 0.62 C ATOM 1040 CG GLU A 68 1.529 7.540 10.260 1.00 1.00 C ATOM 1041 CD GLU A 68 1.038 8.891 10.748 1.00 1.63 C ATOM 1042 OE1 GLU A 68 1.598 9.910 10.294 1.00 2.41 O ATOM 1043 OE2 GLU A 68 -0.031 8.922 11.393 1.00 2.44 O ATOM 0 H GLU A 68 2.892 6.710 7.671 1.00 0.52 H new ATOM 0 HA GLU A 68 0.890 5.063 9.053 1.00 0.50 H new ATOM 0 HB2 GLU A 68 1.045 7.994 8.224 1.00 0.62 H new ATOM 0 HB3 GLU A 68 -0.275 7.287 9.134 1.00 0.62 H new ATOM 0 HG2 GLU A 68 1.332 6.769 11.005 1.00 1.00 H new ATOM 0 HG3 GLU A 68 2.607 7.560 10.100 1.00 1.00 H new ATOM 1050 N PRO A 69 -0.493 4.564 6.923 1.00 0.49 N ATOM 1051 CA PRO A 69 -1.313 4.300 5.748 1.00 0.48 C ATOM 1052 C PRO A 69 -2.679 4.981 5.875 1.00 0.52 C ATOM 1053 O PRO A 69 -3.688 4.351 6.198 1.00 0.92 O ATOM 1054 CB PRO A 69 -1.437 2.779 5.694 1.00 0.55 C ATOM 1055 CG PRO A 69 -1.426 2.396 7.166 1.00 0.62 C ATOM 1056 CD PRO A 69 -0.506 3.422 7.820 1.00 0.63 C ATOM 0 HA PRO A 69 -0.873 4.697 4.833 1.00 0.48 H new ATOM 0 HB2 PRO A 69 -2.356 2.464 5.199 1.00 0.55 H new ATOM 0 HB3 PRO A 69 -0.610 2.323 5.150 1.00 0.55 H new ATOM 0 HG2 PRO A 69 -2.428 2.432 7.593 1.00 0.62 H new ATOM 0 HG3 PRO A 69 -1.055 1.381 7.309 1.00 0.62 H new ATOM 0 HD2 PRO A 69 -0.872 3.703 8.807 1.00 0.63 H new ATOM 0 HD3 PRO A 69 0.498 3.019 7.955 1.00 0.63 H new ATOM 1064 N SER A 70 -2.725 6.273 5.590 1.00 0.62 N ATOM 1065 CA SER A 70 -3.935 7.071 5.689 1.00 0.70 C ATOM 1066 C SER A 70 -4.802 6.824 4.451 1.00 0.62 C ATOM 1067 O SER A 70 -4.488 7.331 3.361 1.00 0.59 O ATOM 1068 CB SER A 70 -3.549 8.543 5.865 1.00 0.86 C ATOM 1069 OG SER A 70 -4.323 9.191 6.865 1.00 1.76 O ATOM 0 H SER A 70 -1.911 6.803 5.279 1.00 0.62 H new ATOM 0 HA SER A 70 -4.527 6.785 6.558 1.00 0.70 H new ATOM 0 HB2 SER A 70 -2.493 8.610 6.127 1.00 0.86 H new ATOM 0 HB3 SER A 70 -3.676 9.065 4.916 1.00 0.86 H new ATOM 0 HG SER A 70 -4.682 10.030 6.508 1.00 1.76 H new ATOM 1075 N LEU A 71 -5.879 6.077 4.578 1.00 0.70 N ATOM 1076 CA LEU A 71 -6.824 5.751 3.504 1.00 0.73 C ATOM 1077 C LEU A 71 -7.662 6.974 3.088 1.00 0.81 C ATOM 1078 O LEU A 71 -8.884 6.964 3.197 1.00 1.14 O ATOM 1079 CB LEU A 71 -7.696 4.552 3.916 1.00 0.94 C ATOM 1080 CG LEU A 71 -8.482 4.768 5.227 1.00 1.54 C ATOM 1081 CD1 LEU A 71 -9.952 4.372 5.040 1.00 1.87 C ATOM 1082 CD2 LEU A 71 -7.892 3.936 6.373 1.00 2.54 C ATOM 0 H LEU A 71 -6.141 5.656 5.470 1.00 0.70 H new ATOM 0 HA LEU A 71 -6.257 5.463 2.618 1.00 0.73 H new ATOM 0 HB2 LEU A 71 -8.401 4.336 3.113 1.00 0.94 H new ATOM 0 HB3 LEU A 71 -7.060 3.674 4.026 1.00 0.94 H new ATOM 0 HG LEU A 71 -8.409 5.826 5.479 1.00 1.54 H new ATOM 0 HD11 LEU A 71 -10.493 4.530 5.973 1.00 1.87 H new ATOM 0 HD12 LEU A 71 -10.397 4.984 4.255 1.00 1.87 H new ATOM 0 HD13 LEU A 71 -10.013 3.321 4.759 1.00 1.87 H new ATOM 0 HD21 LEU A 71 -8.467 4.110 7.282 1.00 2.54 H new ATOM 0 HD22 LEU A 71 -7.934 2.878 6.114 1.00 2.54 H new ATOM 0 HD23 LEU A 71 -6.855 4.228 6.538 1.00 2.54 H new ATOM 1094 N VAL A 72 -7.008 8.029 2.593 1.00 1.17 N ATOM 1095 CA VAL A 72 -7.666 9.272 2.198 1.00 1.35 C ATOM 1096 C VAL A 72 -8.632 9.042 1.033 1.00 1.28 C ATOM 1097 O VAL A 72 -9.646 9.728 0.951 1.00 1.97 O ATOM 1098 CB VAL A 72 -6.617 10.348 1.856 1.00 1.77 C ATOM 1099 CG1 VAL A 72 -7.261 11.648 1.353 1.00 2.46 C ATOM 1100 CG2 VAL A 72 -5.769 10.688 3.089 1.00 2.55 C ATOM 0 H VAL A 72 -5.997 8.041 2.455 1.00 1.17 H new ATOM 0 HA VAL A 72 -8.257 9.630 3.041 1.00 1.35 H new ATOM 0 HB VAL A 72 -5.996 9.928 1.065 1.00 1.77 H new ATOM 0 HG11 VAL A 72 -6.482 12.375 1.125 1.00 2.46 H new ATOM 0 HG12 VAL A 72 -7.840 11.443 0.453 1.00 2.46 H new ATOM 0 HG13 VAL A 72 -7.919 12.050 2.124 1.00 2.46 H new ATOM 0 HG21 VAL A 72 -5.034 11.449 2.827 1.00 2.55 H new ATOM 0 HG22 VAL A 72 -6.415 11.065 3.882 1.00 2.55 H new ATOM 0 HG23 VAL A 72 -5.255 9.792 3.435 1.00 2.55 H new