USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 534 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 -123:sc= 0.977 USER MOD Set 1.2: A 36 SER OG : rot 82:sc= 2.63 USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.32 K(o=1.7,f=-4.8!) USER MOD Set 2.2: A 61 THR OG1 : rot -174:sc= 1.39 USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= 0.827 USER MOD Set 3.2: A 35 CYS SG : rot -111:sc= 0.871 USER MOD Set 4.1: A 17 SER OG : rot 17:sc= 0.477 USER MOD Set 4.2: A 21 LYS NZ :NH3+ -177:sc= 0.493 (180deg=-0.248) USER MOD Set 5.1: A 15 CYS SG : rot -2:sc= -1.03 USER MOD Set 5.2: A 18 CYS SG : rot -91:sc= 0.371 USER MOD Single : A 13 MET CE :methyl 171:sc= -0.581 (180deg=-0.781) USER MOD Single : A 14 THR OG1 : rot -20:sc= 0.608 USER MOD Single : A 20 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.0022) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 76:sc= 1.22 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0459 USER MOD Single : A 42 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.044) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0.955 (180deg=0.923) USER MOD Single : A 45 HIS : no HE2:sc= -0.101 K(o=-0.1,f=-5.5!) 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= -1.3 K(o=-1.3,f=-7!) USER MOD Single : A 64 SER OG : rot -30:sc= 0.287 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -4.050 -12.001 -1.597 1.00 0.90 N ATOM 40 CA GLY A 4 -2.870 -11.692 -0.813 1.00 1.17 C ATOM 41 C GLY A 4 -3.184 -10.427 -0.020 1.00 1.04 C ATOM 42 O GLY A 4 -3.787 -9.513 -0.578 1.00 1.29 O ATOM 0 HA2 GLY A 4 -2.624 -12.516 -0.144 1.00 1.17 H new ATOM 0 HA3 GLY A 4 -2.006 -11.538 -1.460 1.00 1.17 H new ATOM 46 N VAL A 5 -2.805 -10.362 1.261 1.00 1.02 N ATOM 47 CA VAL A 5 -3.112 -9.233 2.140 1.00 0.89 C ATOM 48 C VAL A 5 -1.804 -8.647 2.676 1.00 1.00 C ATOM 49 O VAL A 5 -1.432 -8.859 3.831 1.00 1.82 O ATOM 50 CB VAL A 5 -4.074 -9.671 3.261 1.00 0.95 C ATOM 51 CG1 VAL A 5 -4.586 -8.448 4.034 1.00 2.59 C ATOM 52 CG2 VAL A 5 -5.270 -10.454 2.699 1.00 2.27 C ATOM 0 H VAL A 5 -2.271 -11.100 1.719 1.00 1.02 H new ATOM 0 HA VAL A 5 -3.625 -8.449 1.584 1.00 0.89 H new ATOM 0 HB VAL A 5 -3.517 -10.323 3.934 1.00 0.95 H new ATOM 0 HG11 VAL A 5 -5.264 -8.774 4.822 1.00 2.59 H new ATOM 0 HG12 VAL A 5 -3.743 -7.918 4.477 1.00 2.59 H new ATOM 0 HG13 VAL A 5 -5.115 -7.782 3.352 1.00 2.59 H new ATOM 0 HG21 VAL A 5 -5.929 -10.748 3.516 1.00 2.27 H new ATOM 0 HG22 VAL A 5 -5.819 -9.826 1.998 1.00 2.27 H new ATOM 0 HG23 VAL A 5 -4.912 -11.345 2.183 1.00 2.27 H new ATOM 62 N LEU A 6 -1.077 -7.914 1.830 1.00 0.96 N ATOM 63 CA LEU A 6 0.208 -7.341 2.202 1.00 1.07 C ATOM 64 C LEU A 6 -0.037 -6.070 3.013 1.00 1.03 C ATOM 65 O LEU A 6 0.205 -4.962 2.539 1.00 1.69 O ATOM 66 CB LEU A 6 1.059 -7.103 0.946 1.00 1.22 C ATOM 67 CG LEU A 6 2.533 -6.768 1.218 1.00 1.40 C ATOM 68 CD1 LEU A 6 3.319 -8.010 1.660 1.00 2.11 C ATOM 69 CD2 LEU A 6 3.150 -6.227 -0.077 1.00 2.45 C ATOM 0 H LEU A 6 -1.365 -7.705 0.874 1.00 0.96 H new ATOM 0 HA LEU A 6 0.775 -8.028 2.830 1.00 1.07 H new ATOM 0 HB2 LEU A 6 1.014 -7.994 0.320 1.00 1.22 H new ATOM 0 HB3 LEU A 6 0.616 -6.288 0.374 1.00 1.22 H new ATOM 0 HG LEU A 6 2.582 -6.031 2.020 1.00 1.40 H new ATOM 0 HD11 LEU A 6 4.358 -7.737 1.844 1.00 2.11 H new ATOM 0 HD12 LEU A 6 2.882 -8.411 2.575 1.00 2.11 H new ATOM 0 HD13 LEU A 6 3.276 -8.766 0.876 1.00 2.11 H new ATOM 0 HD21 LEU A 6 4.198 -5.982 0.094 1.00 2.45 H new ATOM 0 HD22 LEU A 6 3.077 -6.983 -0.859 1.00 2.45 H new ATOM 0 HD23 LEU A 6 2.614 -5.330 -0.388 1.00 2.45 H new ATOM 81 N GLU A 7 -0.505 -6.223 4.253 1.00 0.79 N ATOM 82 CA GLU A 7 -0.807 -5.091 5.118 1.00 0.84 C ATOM 83 C GLU A 7 0.501 -4.537 5.697 1.00 0.84 C ATOM 84 O GLU A 7 0.796 -4.685 6.882 1.00 1.67 O ATOM 85 CB GLU A 7 -1.836 -5.513 6.178 1.00 1.24 C ATOM 86 CG GLU A 7 -2.398 -4.295 6.923 1.00 1.45 C ATOM 87 CD GLU A 7 -3.558 -4.661 7.834 1.00 2.22 C ATOM 88 OE1 GLU A 7 -3.599 -5.812 8.310 1.00 2.72 O ATOM 89 OE2 GLU A 7 -4.442 -3.787 7.991 1.00 3.55 O ATOM 0 H GLU A 7 -0.683 -7.132 4.680 1.00 0.79 H new ATOM 0 HA GLU A 7 -1.267 -4.276 4.560 1.00 0.84 H new ATOM 0 HB2 GLU A 7 -2.650 -6.058 5.701 1.00 1.24 H new ATOM 0 HB3 GLU A 7 -1.370 -6.195 6.890 1.00 1.24 H new ATOM 0 HG2 GLU A 7 -1.606 -3.836 7.514 1.00 1.45 H new ATOM 0 HG3 GLU A 7 -2.728 -3.550 6.199 1.00 1.45 H new ATOM 96 N LEU A 8 1.312 -3.924 4.831 1.00 0.82 N ATOM 97 CA LEU A 8 2.622 -3.401 5.191 1.00 0.84 C ATOM 98 C LEU A 8 2.502 -2.035 5.871 1.00 0.78 C ATOM 99 O LEU A 8 1.520 -1.318 5.662 1.00 0.85 O ATOM 100 CB LEU A 8 3.545 -3.385 3.961 1.00 1.11 C ATOM 101 CG LEU A 8 3.144 -2.401 2.841 1.00 0.78 C ATOM 102 CD1 LEU A 8 4.246 -1.359 2.650 1.00 2.21 C ATOM 103 CD2 LEU A 8 2.966 -3.110 1.495 1.00 2.11 C ATOM 0 H LEU A 8 1.070 -3.778 3.851 1.00 0.82 H new ATOM 0 HA LEU A 8 3.082 -4.063 5.925 1.00 0.84 H new ATOM 0 HB2 LEU A 8 4.555 -3.141 4.290 1.00 1.11 H new ATOM 0 HB3 LEU A 8 3.580 -4.391 3.542 1.00 1.11 H new ATOM 0 HG LEU A 8 2.202 -1.945 3.144 1.00 0.78 H new ATOM 0 HD11 LEU A 8 3.959 -0.667 1.859 1.00 2.21 H new ATOM 0 HD12 LEU A 8 4.391 -0.808 3.579 1.00 2.21 H new ATOM 0 HD13 LEU A 8 5.175 -1.858 2.376 1.00 2.21 H new ATOM 0 HD21 LEU A 8 2.684 -2.382 0.735 1.00 2.11 H new ATOM 0 HD22 LEU A 8 3.903 -3.589 1.209 1.00 2.11 H new ATOM 0 HD23 LEU A 8 2.184 -3.865 1.582 1.00 2.11 H new ATOM 115 N VAL A 9 3.514 -1.668 6.670 1.00 0.77 N ATOM 116 CA VAL A 9 3.632 -0.343 7.252 1.00 0.76 C ATOM 117 C VAL A 9 4.176 0.584 6.163 1.00 0.72 C ATOM 118 O VAL A 9 5.228 0.310 5.579 1.00 0.79 O ATOM 119 CB VAL A 9 4.473 -0.360 8.552 1.00 0.77 C ATOM 120 CG1 VAL A 9 5.458 0.812 8.677 1.00 0.85 C ATOM 121 CG2 VAL A 9 3.559 -0.317 9.788 1.00 0.77 C ATOM 0 H VAL A 9 4.276 -2.296 6.927 1.00 0.77 H new ATOM 0 HA VAL A 9 2.662 0.034 7.576 1.00 0.76 H new ATOM 0 HB VAL A 9 5.046 -1.286 8.499 1.00 0.77 H new ATOM 0 HG11 VAL A 9 6.008 0.727 9.614 1.00 0.85 H new ATOM 0 HG12 VAL A 9 6.158 0.789 7.842 1.00 0.85 H new ATOM 0 HG13 VAL A 9 4.908 1.753 8.664 1.00 0.85 H new ATOM 0 HG21 VAL A 9 4.168 -0.330 10.692 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.961 0.594 9.767 1.00 0.77 H new ATOM 0 HG23 VAL A 9 2.899 -1.185 9.783 1.00 0.77 H new ATOM 131 N VAL A 10 3.445 1.659 5.872 1.00 0.75 N ATOM 132 CA VAL A 10 3.808 2.698 4.937 1.00 0.72 C ATOM 133 C VAL A 10 4.054 3.952 5.773 1.00 0.73 C ATOM 134 O VAL A 10 3.210 4.345 6.575 1.00 0.96 O ATOM 135 CB VAL A 10 2.681 2.868 3.909 1.00 0.78 C ATOM 136 CG1 VAL A 10 2.949 4.085 3.027 1.00 1.78 C ATOM 137 CG2 VAL A 10 2.601 1.632 3.010 1.00 2.11 C ATOM 0 H VAL A 10 2.539 1.828 6.310 1.00 0.75 H new ATOM 0 HA VAL A 10 4.706 2.466 4.365 1.00 0.72 H new ATOM 0 HB VAL A 10 1.744 3.000 4.450 1.00 0.78 H new ATOM 0 HG11 VAL A 10 2.142 4.194 2.302 1.00 1.78 H new ATOM 0 HG12 VAL A 10 3.003 4.979 3.648 1.00 1.78 H new ATOM 0 HG13 VAL A 10 3.894 3.952 2.500 1.00 1.78 H new ATOM 0 HG21 VAL A 10 1.799 1.762 2.284 1.00 2.11 H new ATOM 0 HG22 VAL A 10 3.548 1.502 2.485 1.00 2.11 H new ATOM 0 HG23 VAL A 10 2.400 0.751 3.620 1.00 2.11 H new ATOM 147 N ARG A 11 5.234 4.544 5.621 1.00 0.71 N ATOM 148 CA ARG A 11 5.723 5.662 6.411 1.00 0.77 C ATOM 149 C ARG A 11 5.511 6.967 5.627 1.00 0.78 C ATOM 150 O ARG A 11 4.957 6.963 4.526 1.00 1.59 O ATOM 151 CB ARG A 11 7.190 5.374 6.785 1.00 1.08 C ATOM 152 CG ARG A 11 7.483 5.331 8.296 1.00 1.44 C ATOM 153 CD ARG A 11 8.023 6.662 8.838 1.00 2.53 C ATOM 154 NE ARG A 11 9.293 7.026 8.181 1.00 3.72 N ATOM 155 CZ ARG A 11 10.537 6.722 8.583 1.00 4.39 C ATOM 156 NH1 ARG A 11 10.749 6.080 9.738 1.00 4.17 N ATOM 157 NH2 ARG A 11 11.563 7.062 7.802 1.00 6.09 N ATOM 0 H ARG A 11 5.903 4.242 4.912 1.00 0.71 H new ATOM 0 HA ARG A 11 5.173 5.785 7.344 1.00 0.77 H new ATOM 0 HB2 ARG A 11 7.479 4.419 6.347 1.00 1.08 H new ATOM 0 HB3 ARG A 11 7.821 6.137 6.330 1.00 1.08 H new ATOM 0 HG2 ARG A 11 6.570 5.071 8.831 1.00 1.44 H new ATOM 0 HG3 ARG A 11 8.207 4.542 8.498 1.00 1.44 H new ATOM 0 HD2 ARG A 11 7.287 7.450 8.676 1.00 2.53 H new ATOM 0 HD3 ARG A 11 8.176 6.585 9.914 1.00 2.53 H new ATOM 0 HE ARG A 11 9.217 7.571 7.322 1.00 3.72 H new ATOM 0 HH11 ARG A 11 9.959 5.815 10.326 1.00 4.17 H new ATOM 0 HH12 ARG A 11 11.700 5.856 10.030 1.00 4.17 H new ATOM 0 HH21 ARG A 11 11.394 7.543 6.919 1.00 6.09 H new ATOM 0 HH22 ARG A 11 12.517 6.841 8.088 1.00 6.09 H new ATOM 171 N GLY A 12 5.846 8.106 6.234 1.00 0.75 N ATOM 172 CA GLY A 12 5.653 9.409 5.636 1.00 0.91 C ATOM 173 C GLY A 12 4.233 9.875 5.925 1.00 1.34 C ATOM 174 O GLY A 12 4.066 10.794 6.720 1.00 2.41 O ATOM 0 H GLY A 12 6.263 8.140 7.164 1.00 0.75 H new ATOM 0 HA2 GLY A 12 6.373 10.120 6.040 1.00 0.91 H new ATOM 0 HA3 GLY A 12 5.823 9.360 4.560 1.00 0.91 H new ATOM 178 N MET A 13 3.244 9.215 5.300 1.00 0.92 N ATOM 179 CA MET A 13 1.801 9.454 5.357 1.00 1.21 C ATOM 180 C MET A 13 1.363 10.654 6.211 1.00 1.03 C ATOM 181 O MET A 13 0.716 10.490 7.242 1.00 1.34 O ATOM 182 CB MET A 13 1.090 8.188 5.838 1.00 1.72 C ATOM 183 CG MET A 13 1.437 6.925 5.048 1.00 1.37 C ATOM 184 SD MET A 13 0.515 5.455 5.562 1.00 2.06 S ATOM 185 CE MET A 13 -1.149 5.987 5.145 1.00 1.65 C ATOM 0 H MET A 13 3.459 8.429 4.687 1.00 0.92 H new ATOM 0 HA MET A 13 1.512 9.711 4.338 1.00 1.21 H new ATOM 0 HB2 MET A 13 1.337 8.024 6.887 1.00 1.72 H new ATOM 0 HB3 MET A 13 0.013 8.349 5.786 1.00 1.72 H new ATOM 0 HG2 MET A 13 1.248 7.108 3.990 1.00 1.37 H new ATOM 0 HG3 MET A 13 2.504 6.726 5.152 1.00 1.37 H new ATOM 0 HE1 MET A 13 -1.836 5.146 5.245 1.00 1.65 H new ATOM 0 HE2 MET A 13 -1.455 6.787 5.819 1.00 1.65 H new ATOM 0 HE3 MET A 13 -1.168 6.351 4.118 1.00 1.65 H new ATOM 195 N THR A 14 1.713 11.866 5.788 1.00 0.83 N ATOM 196 CA THR A 14 1.697 13.005 6.696 1.00 0.78 C ATOM 197 C THR A 14 0.340 13.715 6.770 1.00 0.73 C ATOM 198 O THR A 14 0.180 14.548 7.663 1.00 1.00 O ATOM 199 CB THR A 14 2.885 13.944 6.410 1.00 0.87 C ATOM 200 OG1 THR A 14 2.870 15.070 7.267 1.00 1.44 O ATOM 201 CG2 THR A 14 2.960 14.407 4.954 1.00 1.03 C ATOM 0 H THR A 14 2.007 12.082 4.835 1.00 0.83 H new ATOM 0 HA THR A 14 1.834 12.619 7.706 1.00 0.78 H new ATOM 0 HB THR A 14 3.777 13.349 6.606 1.00 0.87 H new ATOM 0 HG1 THR A 14 1.971 15.186 7.639 1.00 1.44 H new ATOM 0 HG21 THR A 14 3.820 15.065 4.825 1.00 1.03 H new ATOM 0 HG22 THR A 14 3.065 13.540 4.302 1.00 1.03 H new ATOM 0 HG23 THR A 14 2.049 14.947 4.696 1.00 1.03 H new ATOM 209 N CYS A 15 -0.624 13.430 5.884 1.00 0.64 N ATOM 210 CA CYS A 15 -1.960 14.016 5.966 1.00 0.62 C ATOM 211 C CYS A 15 -2.938 13.244 5.080 1.00 0.58 C ATOM 212 O CYS A 15 -2.550 12.312 4.372 1.00 0.63 O ATOM 213 CB CYS A 15 -1.912 15.502 5.575 1.00 0.65 C ATOM 214 SG CYS A 15 -1.544 15.802 3.832 1.00 0.71 S ATOM 0 H CYS A 15 -0.497 12.792 5.098 1.00 0.64 H new ATOM 0 HA CYS A 15 -2.314 13.946 6.995 1.00 0.62 H new ATOM 0 HB2 CYS A 15 -2.872 15.960 5.815 1.00 0.65 H new ATOM 0 HB3 CYS A 15 -1.159 16.002 6.184 1.00 0.65 H new ATOM 0 HG CYS A 15 -1.341 14.668 3.230 1.00 0.71 H new ATOM 219 N ALA A 16 -4.205 13.673 5.088 1.00 0.56 N ATOM 220 CA ALA A 16 -5.266 13.133 4.246 1.00 0.56 C ATOM 221 C ALA A 16 -4.844 13.074 2.777 1.00 0.50 C ATOM 222 O ALA A 16 -5.159 12.103 2.088 1.00 0.55 O ATOM 223 CB ALA A 16 -6.530 13.986 4.391 1.00 0.64 C ATOM 0 H ALA A 16 -4.524 14.425 5.698 1.00 0.56 H new ATOM 0 HA ALA A 16 -5.470 12.115 4.576 1.00 0.56 H new ATOM 0 HB1 ALA A 16 -7.319 13.578 3.760 1.00 0.64 H new ATOM 0 HB2 ALA A 16 -6.857 13.978 5.431 1.00 0.64 H new ATOM 0 HB3 ALA A 16 -6.315 15.010 4.086 1.00 0.64 H new ATOM 229 N SER A 17 -4.128 14.106 2.304 1.00 0.47 N ATOM 230 CA SER A 17 -3.594 14.115 0.950 1.00 0.55 C ATOM 231 C SER A 17 -2.803 12.838 0.706 1.00 0.71 C ATOM 232 O SER A 17 -2.865 12.283 -0.386 1.00 0.93 O ATOM 233 CB SER A 17 -2.692 15.323 0.651 1.00 0.77 C ATOM 234 OG SER A 17 -2.350 15.331 -0.734 1.00 2.63 O ATOM 0 H SER A 17 -3.910 14.942 2.847 1.00 0.47 H new ATOM 0 HA SER A 17 -4.453 14.184 0.282 1.00 0.55 H new ATOM 0 HB2 SER A 17 -3.205 16.248 0.915 1.00 0.77 H new ATOM 0 HB3 SER A 17 -1.789 15.275 1.259 1.00 0.77 H new ATOM 0 HG SER A 17 -2.964 14.747 -1.226 1.00 2.63 H new ATOM 240 N CYS A 18 -1.985 12.403 1.662 1.00 0.66 N ATOM 241 CA CYS A 18 -1.191 11.210 1.465 1.00 0.69 C ATOM 242 C CYS A 18 -2.117 10.008 1.345 1.00 0.62 C ATOM 243 O CYS A 18 -2.096 9.343 0.316 1.00 0.59 O ATOM 244 CB CYS A 18 -0.157 11.081 2.578 1.00 0.83 C ATOM 245 SG CYS A 18 0.950 12.516 2.666 1.00 0.94 S ATOM 0 H CYS A 18 -1.861 12.857 2.567 1.00 0.66 H new ATOM 0 HA CYS A 18 -0.625 11.269 0.535 1.00 0.69 H new ATOM 0 HB2 CYS A 18 -0.669 10.962 3.533 1.00 0.83 H new ATOM 0 HB3 CYS A 18 0.434 10.179 2.418 1.00 0.83 H new ATOM 0 HG CYS A 18 2.000 12.300 1.931 1.00 0.94 H new ATOM 250 N VAL A 19 -2.953 9.776 2.359 1.00 0.66 N ATOM 251 CA VAL A 19 -3.942 8.706 2.387 1.00 0.69 C ATOM 252 C VAL A 19 -4.627 8.543 1.023 1.00 0.55 C ATOM 253 O VAL A 19 -4.418 7.539 0.340 1.00 0.53 O ATOM 254 CB VAL A 19 -4.947 8.955 3.533 1.00 0.80 C ATOM 255 CG1 VAL A 19 -6.100 7.941 3.556 1.00 0.99 C ATOM 256 CG2 VAL A 19 -4.246 8.919 4.899 1.00 0.98 C ATOM 0 H VAL A 19 -2.958 10.345 3.205 1.00 0.66 H new ATOM 0 HA VAL A 19 -3.440 7.759 2.586 1.00 0.69 H new ATOM 0 HB VAL A 19 -5.364 9.944 3.343 1.00 0.80 H new ATOM 0 HG11 VAL A 19 -6.770 8.171 4.384 1.00 0.99 H new ATOM 0 HG12 VAL A 19 -6.651 7.995 2.617 1.00 0.99 H new ATOM 0 HG13 VAL A 19 -5.698 6.936 3.683 1.00 0.99 H new ATOM 0 HG21 VAL A 19 -4.977 9.097 5.688 1.00 0.98 H new ATOM 0 HG22 VAL A 19 -3.785 7.942 5.046 1.00 0.98 H new ATOM 0 HG23 VAL A 19 -3.478 9.692 4.934 1.00 0.98 H new ATOM 266 N HIS A 20 -5.434 9.527 0.610 1.00 0.52 N ATOM 267 CA HIS A 20 -6.274 9.321 -0.565 1.00 0.55 C ATOM 268 C HIS A 20 -5.448 9.266 -1.855 1.00 0.49 C ATOM 269 O HIS A 20 -5.815 8.567 -2.798 1.00 0.51 O ATOM 270 CB HIS A 20 -7.448 10.311 -0.620 1.00 0.63 C ATOM 271 CG HIS A 20 -7.169 11.629 -1.293 1.00 0.59 C ATOM 272 ND1 HIS A 20 -7.946 12.238 -2.252 1.00 0.70 N ATOM 273 CD2 HIS A 20 -6.098 12.441 -1.061 1.00 0.65 C ATOM 274 CE1 HIS A 20 -7.341 13.392 -2.585 1.00 0.70 C ATOM 275 NE2 HIS A 20 -6.205 13.559 -1.888 1.00 0.74 N ATOM 0 H HIS A 20 -5.520 10.440 1.056 1.00 0.52 H new ATOM 0 HA HIS A 20 -6.734 8.337 -0.470 1.00 0.55 H new ATOM 0 HB2 HIS A 20 -8.279 9.830 -1.137 1.00 0.63 H new ATOM 0 HB3 HIS A 20 -7.779 10.509 0.400 1.00 0.63 H new ATOM 0 HD2 HIS A 20 -5.302 12.251 -0.356 1.00 0.65 H new ATOM 0 HE1 HIS A 20 -7.719 14.092 -3.316 1.00 0.70 H new ATOM 0 HE2 HIS A 20 -5.555 14.342 -1.951 1.00 0.74 H new ATOM 283 N LYS A 21 -4.325 9.992 -1.915 1.00 0.49 N ATOM 284 CA LYS A 21 -3.448 9.981 -3.077 1.00 0.50 C ATOM 285 C LYS A 21 -2.833 8.591 -3.233 1.00 0.44 C ATOM 286 O LYS A 21 -2.864 8.029 -4.329 1.00 0.49 O ATOM 287 CB LYS A 21 -2.396 11.081 -2.911 1.00 0.60 C ATOM 288 CG LYS A 21 -1.447 11.290 -4.091 1.00 0.73 C ATOM 289 CD LYS A 21 -0.754 12.665 -4.010 1.00 1.33 C ATOM 290 CE LYS A 21 0.071 12.918 -2.732 1.00 2.28 C ATOM 291 NZ LYS A 21 -0.735 13.338 -1.561 1.00 3.82 N ATOM 0 H LYS A 21 -4.006 10.599 -1.160 1.00 0.49 H new ATOM 0 HA LYS A 21 -4.002 10.190 -3.992 1.00 0.50 H new ATOM 0 HB2 LYS A 21 -2.911 12.021 -2.715 1.00 0.60 H new ATOM 0 HB3 LYS A 21 -1.799 10.854 -2.027 1.00 0.60 H new ATOM 0 HG2 LYS A 21 -0.695 10.501 -4.101 1.00 0.73 H new ATOM 0 HG3 LYS A 21 -2.002 11.214 -5.026 1.00 0.73 H new ATOM 0 HD2 LYS A 21 -0.097 12.773 -4.873 1.00 1.33 H new ATOM 0 HD3 LYS A 21 -1.515 13.441 -4.090 1.00 1.33 H new ATOM 0 HE2 LYS A 21 0.614 12.008 -2.477 1.00 2.28 H new ATOM 0 HE3 LYS A 21 0.816 13.686 -2.940 1.00 2.28 H new ATOM 0 HZ1 LYS A 21 -0.104 13.537 -0.759 1.00 3.82 H new ATOM 0 HZ2 LYS A 21 -1.273 14.196 -1.799 1.00 3.82 H new ATOM 0 HZ3 LYS A 21 -1.394 12.577 -1.302 1.00 3.82 H new ATOM 305 N ILE A 22 -2.301 8.032 -2.140 1.00 0.40 N ATOM 306 CA ILE A 22 -1.810 6.665 -2.106 1.00 0.39 C ATOM 307 C ILE A 22 -2.924 5.750 -2.606 1.00 0.38 C ATOM 308 O ILE A 22 -2.742 5.102 -3.631 1.00 0.42 O ATOM 309 CB ILE A 22 -1.313 6.273 -0.698 1.00 0.46 C ATOM 310 CG1 ILE A 22 -0.048 7.063 -0.324 1.00 0.48 C ATOM 311 CG2 ILE A 22 -0.994 4.772 -0.645 1.00 0.55 C ATOM 312 CD1 ILE A 22 0.234 7.040 1.183 1.00 0.80 C ATOM 0 H ILE A 22 -2.202 8.525 -1.253 1.00 0.40 H new ATOM 0 HA ILE A 22 -0.943 6.564 -2.758 1.00 0.39 H new ATOM 0 HB ILE A 22 -2.106 6.508 0.012 1.00 0.46 H new ATOM 0 HG12 ILE A 22 0.807 6.647 -0.857 1.00 0.48 H new ATOM 0 HG13 ILE A 22 -0.158 8.096 -0.654 1.00 0.48 H new ATOM 0 HG21 ILE A 22 -0.645 4.509 0.354 1.00 0.55 H new ATOM 0 HG22 ILE A 22 -1.893 4.201 -0.877 1.00 0.55 H new ATOM 0 HG23 ILE A 22 -0.218 4.539 -1.374 1.00 0.55 H new ATOM 0 HD11 ILE A 22 1.138 7.612 1.393 1.00 0.80 H new ATOM 0 HD12 ILE A 22 -0.607 7.481 1.717 1.00 0.80 H new ATOM 0 HD13 ILE A 22 0.372 6.010 1.512 1.00 0.80 H new ATOM 324 N GLU A 23 -4.072 5.720 -1.921 1.00 0.40 N ATOM 325 CA GLU A 23 -5.182 4.830 -2.256 1.00 0.45 C ATOM 326 C GLU A 23 -5.564 4.930 -3.734 1.00 0.42 C ATOM 327 O GLU A 23 -5.670 3.918 -4.429 1.00 0.50 O ATOM 328 CB GLU A 23 -6.380 5.147 -1.356 1.00 0.58 C ATOM 329 CG GLU A 23 -6.079 4.684 0.073 1.00 1.59 C ATOM 330 CD GLU A 23 -7.118 5.134 1.090 1.00 2.57 C ATOM 331 OE1 GLU A 23 -7.817 6.131 0.807 1.00 3.30 O ATOM 332 OE2 GLU A 23 -7.171 4.470 2.149 1.00 3.71 O ATOM 0 H GLU A 23 -4.255 6.317 -1.115 1.00 0.40 H new ATOM 0 HA GLU A 23 -4.864 3.802 -2.082 1.00 0.45 H new ATOM 0 HB2 GLU A 23 -6.585 6.218 -1.368 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -7.273 4.648 -1.731 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -6.015 3.596 0.088 1.00 1.59 H new ATOM 0 HG3 GLU A 23 -5.102 5.064 0.371 1.00 1.59 H new ATOM 339 N SER A 24 -5.751 6.156 -4.224 1.00 0.42 N ATOM 340 CA SER A 24 -6.049 6.412 -5.622 1.00 0.53 C ATOM 341 C SER A 24 -4.972 5.779 -6.508 1.00 0.57 C ATOM 342 O SER A 24 -5.287 4.999 -7.406 1.00 0.78 O ATOM 343 CB SER A 24 -6.184 7.926 -5.848 1.00 0.67 C ATOM 344 OG SER A 24 -6.621 8.215 -7.163 1.00 0.97 O ATOM 0 H SER A 24 -5.698 7.000 -3.654 1.00 0.42 H new ATOM 0 HA SER A 24 -6.999 5.954 -5.897 1.00 0.53 H new ATOM 0 HB2 SER A 24 -6.890 8.341 -5.129 1.00 0.67 H new ATOM 0 HB3 SER A 24 -5.224 8.409 -5.668 1.00 0.67 H new ATOM 0 HG SER A 24 -6.699 9.185 -7.276 1.00 0.97 H new ATOM 350 N SER A 25 -3.699 6.093 -6.248 1.00 0.50 N ATOM 351 CA SER A 25 -2.588 5.614 -7.060 1.00 0.59 C ATOM 352 C SER A 25 -2.552 4.088 -7.051 1.00 0.64 C ATOM 353 O SER A 25 -2.304 3.453 -8.068 1.00 0.94 O ATOM 354 CB SER A 25 -1.264 6.185 -6.543 1.00 0.61 C ATOM 355 OG SER A 25 -1.305 7.598 -6.545 1.00 1.86 O ATOM 0 H SER A 25 -3.415 6.686 -5.468 1.00 0.50 H new ATOM 0 HA SER A 25 -2.731 5.954 -8.086 1.00 0.59 H new ATOM 0 HB2 SER A 25 -1.073 5.821 -5.533 1.00 0.61 H new ATOM 0 HB3 SER A 25 -0.441 5.837 -7.168 1.00 0.61 H new ATOM 0 HG SER A 25 -1.844 7.911 -5.789 1.00 1.86 H new ATOM 361 N LEU A 26 -2.814 3.505 -5.886 1.00 0.51 N ATOM 362 CA LEU A 26 -2.818 2.074 -5.683 1.00 0.66 C ATOM 363 C LEU A 26 -3.918 1.425 -6.509 1.00 0.58 C ATOM 364 O LEU A 26 -3.676 0.496 -7.278 1.00 0.64 O ATOM 365 CB LEU A 26 -2.983 1.790 -4.182 1.00 0.83 C ATOM 366 CG LEU A 26 -1.834 0.936 -3.649 1.00 1.01 C ATOM 367 CD1 LEU A 26 -1.722 1.109 -2.135 1.00 2.74 C ATOM 368 CD2 LEU A 26 -2.110 -0.516 -4.025 1.00 2.49 C ATOM 0 H LEU A 26 -3.034 4.033 -5.042 1.00 0.51 H new ATOM 0 HA LEU A 26 -1.875 1.643 -6.017 1.00 0.66 H new ATOM 0 HB2 LEU A 26 -3.024 2.731 -3.634 1.00 0.83 H new ATOM 0 HB3 LEU A 26 -3.930 1.279 -4.008 1.00 0.83 H new ATOM 0 HG LEU A 26 -0.884 1.245 -4.086 1.00 1.01 H new ATOM 0 HD11 LEU A 26 -0.901 0.498 -1.759 1.00 2.74 H new ATOM 0 HD12 LEU A 26 -1.531 2.157 -1.902 1.00 2.74 H new ATOM 0 HD13 LEU A 26 -2.653 0.796 -1.663 1.00 2.74 H new ATOM 0 HD21 LEU A 26 -1.302 -1.147 -3.655 1.00 2.49 H new ATOM 0 HD22 LEU A 26 -3.053 -0.834 -3.580 1.00 2.49 H new ATOM 0 HD23 LEU A 26 -2.173 -0.605 -5.110 1.00 2.49 H new ATOM 380 N THR A 27 -5.131 1.950 -6.370 1.00 0.54 N ATOM 381 CA THR A 27 -6.277 1.498 -7.135 1.00 0.60 C ATOM 382 C THR A 27 -6.000 1.641 -8.639 1.00 0.73 C ATOM 383 O THR A 27 -6.469 0.832 -9.437 1.00 1.22 O ATOM 384 CB THR A 27 -7.536 2.219 -6.629 1.00 0.77 C ATOM 385 OG1 THR A 27 -7.621 2.077 -5.224 1.00 1.74 O ATOM 386 CG2 THR A 27 -8.816 1.647 -7.243 1.00 1.92 C ATOM 0 H THR A 27 -5.343 2.705 -5.718 1.00 0.54 H new ATOM 0 HA THR A 27 -6.461 0.434 -6.986 1.00 0.60 H new ATOM 0 HB THR A 27 -7.451 3.266 -6.920 1.00 0.77 H new ATOM 0 HG1 THR A 27 -8.422 2.537 -4.897 1.00 1.74 H new ATOM 0 HG21 THR A 27 -9.679 2.188 -6.855 1.00 1.92 H new ATOM 0 HG22 THR A 27 -8.778 1.753 -8.327 1.00 1.92 H new ATOM 0 HG23 THR A 27 -8.904 0.592 -6.984 1.00 1.92 H new ATOM 394 N LYS A 28 -5.170 2.618 -9.026 1.00 0.90 N ATOM 395 CA LYS A 28 -4.713 2.815 -10.399 1.00 1.16 C ATOM 396 C LYS A 28 -3.823 1.677 -10.945 1.00 1.41 C ATOM 397 O LYS A 28 -3.433 1.747 -12.110 1.00 2.19 O ATOM 398 CB LYS A 28 -4.083 4.225 -10.531 1.00 1.36 C ATOM 399 CG LYS A 28 -2.575 4.315 -10.831 1.00 1.87 C ATOM 400 CD LYS A 28 -2.327 4.551 -12.329 1.00 2.58 C ATOM 401 CE LYS A 28 -0.901 4.132 -12.707 1.00 3.89 C ATOM 402 NZ LYS A 28 -0.680 4.203 -14.166 1.00 5.03 N ATOM 0 H LYS A 28 -4.792 3.306 -8.375 1.00 0.90 H new ATOM 0 HA LYS A 28 -5.585 2.766 -11.052 1.00 1.16 H new ATOM 0 HB2 LYS A 28 -4.614 4.756 -11.322 1.00 1.36 H new ATOM 0 HB3 LYS A 28 -4.272 4.764 -9.603 1.00 1.36 H new ATOM 0 HG2 LYS A 28 -2.133 5.126 -10.253 1.00 1.87 H new ATOM 0 HG3 LYS A 28 -2.082 3.395 -10.517 1.00 1.87 H new ATOM 0 HD2 LYS A 28 -3.048 3.983 -12.917 1.00 2.58 H new ATOM 0 HD3 LYS A 28 -2.479 5.604 -12.568 1.00 2.58 H new ATOM 0 HE2 LYS A 28 -0.185 4.778 -12.199 1.00 3.89 H new ATOM 0 HE3 LYS A 28 -0.716 3.115 -12.360 1.00 3.89 H new ATOM 0 HZ1 LYS A 28 0.295 3.913 -14.384 1.00 5.03 H new ATOM 0 HZ2 LYS A 28 -1.347 3.568 -14.649 1.00 5.03 H new ATOM 0 HZ3 LYS A 28 -0.832 5.178 -14.493 1.00 5.03 H new ATOM 416 N HIS A 29 -3.433 0.675 -10.143 1.00 0.91 N ATOM 417 CA HIS A 29 -2.570 -0.411 -10.612 1.00 1.17 C ATOM 418 C HIS A 29 -3.342 -1.391 -11.518 1.00 1.68 C ATOM 419 O HIS A 29 -3.861 -0.988 -12.555 1.00 3.44 O ATOM 420 CB HIS A 29 -1.899 -1.112 -9.422 1.00 0.89 C ATOM 421 CG HIS A 29 -1.006 -0.260 -8.555 1.00 1.33 C ATOM 422 ND1 HIS A 29 -0.531 -0.626 -7.316 1.00 3.18 N ATOM 423 CD2 HIS A 29 -0.499 0.981 -8.840 1.00 1.11 C ATOM 424 CE1 HIS A 29 0.245 0.375 -6.870 1.00 3.15 C ATOM 425 NE2 HIS A 29 0.306 1.371 -7.767 1.00 1.53 N ATOM 0 H HIS A 29 -3.705 0.598 -9.163 1.00 0.91 H new ATOM 0 HA HIS A 29 -1.778 0.014 -11.228 1.00 1.17 H new ATOM 0 HB2 HIS A 29 -2.680 -1.538 -8.792 1.00 0.89 H new ATOM 0 HB3 HIS A 29 -1.309 -1.945 -9.805 1.00 0.89 H new ATOM 0 HD1 HIS A 29 -0.732 -1.498 -6.826 1.00 3.18 H new ATOM 0 HD2 HIS A 29 -0.688 1.555 -9.735 1.00 1.11 H new ATOM 0 HE1 HIS A 29 0.752 0.378 -5.917 1.00 3.15 H new ATOM 433 N ARG A 30 -3.397 -2.688 -11.178 1.00 1.65 N ATOM 434 CA ARG A 30 -4.145 -3.668 -11.952 1.00 1.88 C ATOM 435 C ARG A 30 -4.503 -4.876 -11.083 1.00 1.20 C ATOM 436 O ARG A 30 -5.676 -5.116 -10.820 1.00 1.67 O ATOM 437 CB ARG A 30 -3.463 -4.014 -13.298 1.00 2.92 C ATOM 438 CG ARG A 30 -2.226 -4.932 -13.299 1.00 5.12 C ATOM 439 CD ARG A 30 -0.966 -4.344 -12.646 1.00 6.93 C ATOM 440 NE ARG A 30 0.088 -5.369 -12.493 1.00 8.91 N ATOM 441 CZ ARG A 30 1.350 -5.129 -12.103 1.00 10.84 C ATOM 442 NH1 ARG A 30 1.773 -3.887 -11.862 1.00 11.31 N ATOM 443 NH2 ARG A 30 2.199 -6.137 -11.915 1.00 12.63 N ATOM 0 H ARG A 30 -2.924 -3.077 -10.362 1.00 1.65 H new ATOM 0 HA ARG A 30 -5.092 -3.222 -12.254 1.00 1.88 H new ATOM 0 HB2 ARG A 30 -4.215 -4.476 -13.938 1.00 2.92 H new ATOM 0 HB3 ARG A 30 -3.175 -3.075 -13.771 1.00 2.92 H new ATOM 0 HG2 ARG A 30 -2.482 -5.858 -12.785 1.00 5.12 H new ATOM 0 HG3 ARG A 30 -1.991 -5.195 -14.330 1.00 5.12 H new ATOM 0 HD2 ARG A 30 -0.590 -3.520 -13.253 1.00 6.93 H new ATOM 0 HD3 ARG A 30 -1.219 -3.931 -11.670 1.00 6.93 H new ATOM 0 HE ARG A 30 -0.164 -6.336 -12.700 1.00 8.91 H new ATOM 0 HH11 ARG A 30 1.134 -3.100 -11.973 1.00 11.31 H new ATOM 0 HH12 ARG A 30 2.736 -3.724 -11.566 1.00 11.31 H new ATOM 0 HH21 ARG A 30 1.892 -7.098 -12.067 1.00 12.63 H new ATOM 0 HH22 ARG A 30 3.157 -5.949 -11.619 1.00 12.63 H new ATOM 457 N GLY A 31 -3.504 -5.605 -10.578 1.00 1.13 N ATOM 458 CA GLY A 31 -3.723 -6.804 -9.775 1.00 0.81 C ATOM 459 C GLY A 31 -4.026 -6.458 -8.323 1.00 0.71 C ATOM 460 O GLY A 31 -3.406 -6.996 -7.407 1.00 1.00 O ATOM 0 H GLY A 31 -2.520 -5.377 -10.717 1.00 1.13 H new ATOM 0 HA2 GLY A 31 -4.550 -7.377 -10.194 1.00 0.81 H new ATOM 0 HA3 GLY A 31 -2.839 -7.440 -9.821 1.00 0.81 H new ATOM 464 N ILE A 32 -4.932 -5.505 -8.124 1.00 1.06 N ATOM 465 CA ILE A 32 -5.361 -5.051 -6.818 1.00 0.99 C ATOM 466 C ILE A 32 -6.833 -5.409 -6.661 1.00 1.01 C ATOM 467 O ILE A 32 -7.622 -5.222 -7.585 1.00 1.35 O ATOM 468 CB ILE A 32 -5.056 -3.555 -6.617 1.00 1.25 C ATOM 469 CG1 ILE A 32 -5.845 -2.615 -7.547 1.00 2.33 C ATOM 470 CG2 ILE A 32 -3.548 -3.324 -6.775 1.00 1.64 C ATOM 471 CD1 ILE A 32 -7.138 -2.119 -6.889 1.00 3.11 C ATOM 0 H ILE A 32 -5.396 -5.019 -8.891 1.00 1.06 H new ATOM 0 HA ILE A 32 -4.802 -5.551 -6.027 1.00 0.99 H new ATOM 0 HB ILE A 32 -5.384 -3.302 -5.609 1.00 1.25 H new ATOM 0 HG12 ILE A 32 -5.222 -1.761 -7.815 1.00 2.33 H new ATOM 0 HG13 ILE A 32 -6.085 -3.137 -8.473 1.00 2.33 H new ATOM 0 HG21 ILE A 32 -3.325 -2.266 -6.634 1.00 1.64 H new ATOM 0 HG22 ILE A 32 -3.010 -3.911 -6.030 1.00 1.64 H new ATOM 0 HG23 ILE A 32 -3.236 -3.631 -7.773 1.00 1.64 H new ATOM 0 HD11 ILE A 32 -7.666 -1.459 -7.577 1.00 3.11 H new ATOM 0 HD12 ILE A 32 -7.772 -2.971 -6.645 1.00 3.11 H new ATOM 0 HD13 ILE A 32 -6.896 -1.574 -5.977 1.00 3.11 H new ATOM 483 N LEU A 33 -7.187 -5.920 -5.486 1.00 0.77 N ATOM 484 CA LEU A 33 -8.553 -6.229 -5.111 1.00 0.81 C ATOM 485 C LEU A 33 -9.105 -5.074 -4.283 1.00 0.76 C ATOM 486 O LEU A 33 -10.255 -4.677 -4.466 1.00 0.89 O ATOM 487 CB LEU A 33 -8.582 -7.548 -4.327 1.00 0.78 C ATOM 488 CG LEU A 33 -8.020 -8.735 -5.131 1.00 1.04 C ATOM 489 CD1 LEU A 33 -7.921 -9.960 -4.220 1.00 2.06 C ATOM 490 CD2 LEU A 33 -8.903 -9.064 -6.340 1.00 1.59 C ATOM 0 H LEU A 33 -6.511 -6.134 -4.753 1.00 0.77 H new ATOM 0 HA LEU A 33 -9.177 -6.353 -5.996 1.00 0.81 H new ATOM 0 HB2 LEU A 33 -8.006 -7.432 -3.409 1.00 0.78 H new ATOM 0 HB3 LEU A 33 -9.608 -7.768 -4.033 1.00 0.78 H new ATOM 0 HG LEU A 33 -7.033 -8.459 -5.502 1.00 1.04 H new ATOM 0 HD11 LEU A 33 -7.523 -10.803 -4.785 1.00 2.06 H new ATOM 0 HD12 LEU A 33 -7.258 -9.739 -3.384 1.00 2.06 H new ATOM 0 HD13 LEU A 33 -8.911 -10.212 -3.841 1.00 2.06 H new ATOM 0 HD21 LEU A 33 -8.476 -9.907 -6.884 1.00 1.59 H new ATOM 0 HD22 LEU A 33 -9.905 -9.323 -5.999 1.00 1.59 H new ATOM 0 HD23 LEU A 33 -8.957 -8.197 -6.998 1.00 1.59 H new ATOM 502 N TYR A 34 -8.301 -4.533 -3.359 1.00 0.64 N ATOM 503 CA TYR A 34 -8.731 -3.451 -2.485 1.00 0.67 C ATOM 504 C TYR A 34 -7.518 -2.666 -1.989 1.00 0.67 C ATOM 505 O TYR A 34 -6.433 -3.234 -1.886 1.00 0.61 O ATOM 506 CB TYR A 34 -9.497 -4.066 -1.307 1.00 0.64 C ATOM 507 CG TYR A 34 -10.171 -3.071 -0.393 1.00 0.71 C ATOM 508 CD1 TYR A 34 -11.320 -2.387 -0.828 1.00 1.99 C ATOM 509 CD2 TYR A 34 -9.694 -2.885 0.917 1.00 1.52 C ATOM 510 CE1 TYR A 34 -11.977 -1.498 0.038 1.00 2.16 C ATOM 511 CE2 TYR A 34 -10.371 -2.020 1.789 1.00 1.53 C ATOM 512 CZ TYR A 34 -11.487 -1.295 1.337 1.00 1.10 C ATOM 513 OH TYR A 34 -12.050 -0.346 2.134 1.00 1.35 O ATOM 0 H TYR A 34 -7.340 -4.836 -3.202 1.00 0.64 H new ATOM 0 HA TYR A 34 -9.378 -2.760 -3.025 1.00 0.67 H new ATOM 0 HB2 TYR A 34 -10.253 -4.745 -1.700 1.00 0.64 H new ATOM 0 HB3 TYR A 34 -8.805 -4.667 -0.717 1.00 0.64 H new ATOM 0 HD1 TYR A 34 -11.697 -2.545 -1.828 1.00 1.99 H new ATOM 0 HD2 TYR A 34 -8.809 -3.407 1.250 1.00 1.52 H new ATOM 0 HE1 TYR A 34 -12.859 -0.971 -0.296 1.00 2.16 H new ATOM 0 HE2 TYR A 34 -10.034 -1.911 2.809 1.00 1.53 H new ATOM 0 HH TYR A 34 -11.362 0.289 2.423 1.00 1.35 H new ATOM 523 N CYS A 35 -7.705 -1.387 -1.642 1.00 0.78 N ATOM 524 CA CYS A 35 -6.770 -0.628 -0.818 1.00 0.77 C ATOM 525 C CYS A 35 -7.538 0.099 0.285 1.00 0.88 C ATOM 526 O CYS A 35 -8.681 0.514 0.089 1.00 1.27 O ATOM 527 CB CYS A 35 -5.916 0.323 -1.662 1.00 0.73 C ATOM 528 SG CYS A 35 -6.881 1.743 -2.211 1.00 2.69 S ATOM 0 H CYS A 35 -8.521 -0.848 -1.931 1.00 0.78 H new ATOM 0 HA CYS A 35 -6.069 -1.317 -0.347 1.00 0.77 H new ATOM 0 HB2 CYS A 35 -5.061 0.664 -1.079 1.00 0.73 H new ATOM 0 HB3 CYS A 35 -5.520 -0.209 -2.527 1.00 0.73 H new ATOM 0 HG CYS A 35 -7.064 1.672 -3.496 1.00 2.69 H new ATOM 534 N SER A 36 -6.925 0.202 1.465 1.00 0.74 N ATOM 535 CA SER A 36 -7.285 1.147 2.509 1.00 0.89 C ATOM 536 C SER A 36 -6.044 1.408 3.353 1.00 0.69 C ATOM 537 O SER A 36 -5.463 0.460 3.884 1.00 0.93 O ATOM 538 CB SER A 36 -8.428 0.622 3.380 1.00 1.27 C ATOM 539 OG SER A 36 -9.650 0.715 2.678 1.00 2.75 O ATOM 0 H SER A 36 -6.138 -0.393 1.724 1.00 0.74 H new ATOM 0 HA SER A 36 -7.640 2.072 2.053 1.00 0.89 H new ATOM 0 HB2 SER A 36 -8.237 -0.414 3.660 1.00 1.27 H new ATOM 0 HB3 SER A 36 -8.485 1.196 4.305 1.00 1.27 H new ATOM 0 HG SER A 36 -9.744 -0.056 2.081 1.00 2.75 H new ATOM 545 N VAL A 37 -5.618 2.665 3.469 1.00 0.52 N ATOM 546 CA VAL A 37 -4.423 3.032 4.215 1.00 0.47 C ATOM 547 C VAL A 37 -4.806 3.896 5.420 1.00 0.50 C ATOM 548 O VAL A 37 -5.852 4.540 5.419 1.00 0.65 O ATOM 549 CB VAL A 37 -3.382 3.686 3.284 1.00 0.74 C ATOM 550 CG1 VAL A 37 -3.237 2.960 1.943 1.00 1.53 C ATOM 551 CG2 VAL A 37 -3.749 5.125 2.949 1.00 1.58 C ATOM 0 H VAL A 37 -6.097 3.459 3.044 1.00 0.52 H new ATOM 0 HA VAL A 37 -3.943 2.139 4.615 1.00 0.47 H new ATOM 0 HB VAL A 37 -2.448 3.632 3.843 1.00 0.74 H new ATOM 0 HG11 VAL A 37 -2.490 3.468 1.333 1.00 1.53 H new ATOM 0 HG12 VAL A 37 -2.923 1.931 2.118 1.00 1.53 H new ATOM 0 HG13 VAL A 37 -4.194 2.963 1.422 1.00 1.53 H new ATOM 0 HG21 VAL A 37 -2.991 5.550 2.291 1.00 1.58 H new ATOM 0 HG22 VAL A 37 -4.717 5.147 2.448 1.00 1.58 H new ATOM 0 HG23 VAL A 37 -3.802 5.710 3.867 1.00 1.58 H new ATOM 561 N ALA A 38 -3.977 3.895 6.468 1.00 0.54 N ATOM 562 CA ALA A 38 -4.224 4.676 7.673 1.00 0.68 C ATOM 563 C ALA A 38 -2.911 5.236 8.207 1.00 0.68 C ATOM 564 O ALA A 38 -1.996 4.469 8.506 1.00 0.73 O ATOM 565 CB ALA A 38 -4.910 3.813 8.735 1.00 0.81 C ATOM 0 H ALA A 38 -3.115 3.350 6.500 1.00 0.54 H new ATOM 0 HA ALA A 38 -4.885 5.507 7.427 1.00 0.68 H new ATOM 0 HB1 ALA A 38 -5.088 4.410 9.629 1.00 0.81 H new ATOM 0 HB2 ALA A 38 -5.861 3.447 8.348 1.00 0.81 H new ATOM 0 HB3 ALA A 38 -4.270 2.967 8.985 1.00 0.81 H new ATOM 571 N LEU A 39 -2.841 6.562 8.353 1.00 0.74 N ATOM 572 CA LEU A 39 -1.693 7.281 8.898 1.00 0.77 C ATOM 573 C LEU A 39 -1.595 7.162 10.421 1.00 0.75 C ATOM 574 O LEU A 39 -0.548 7.451 10.994 1.00 0.83 O ATOM 575 CB LEU A 39 -1.675 8.743 8.417 1.00 1.02 C ATOM 576 CG LEU A 39 -2.960 9.582 8.548 1.00 0.74 C ATOM 577 CD1 LEU A 39 -3.415 9.786 9.998 1.00 1.46 C ATOM 578 CD2 LEU A 39 -2.696 10.957 7.919 1.00 1.03 C ATOM 0 H LEU A 39 -3.607 7.181 8.086 1.00 0.74 H new ATOM 0 HA LEU A 39 -0.795 6.801 8.507 1.00 0.77 H new ATOM 0 HB2 LEU A 39 -0.886 9.260 8.962 1.00 1.02 H new ATOM 0 HB3 LEU A 39 -1.387 8.741 7.366 1.00 1.02 H new ATOM 0 HG LEU A 39 -3.757 9.038 8.041 1.00 0.74 H new ATOM 0 HD11 LEU A 39 -4.325 10.385 10.013 1.00 1.46 H new ATOM 0 HD12 LEU A 39 -3.611 8.817 10.458 1.00 1.46 H new ATOM 0 HD13 LEU A 39 -2.633 10.301 10.556 1.00 1.46 H new ATOM 0 HD21 LEU A 39 -3.592 11.572 7.999 1.00 1.03 H new ATOM 0 HD22 LEU A 39 -1.874 11.445 8.442 1.00 1.03 H new ATOM 0 HD23 LEU A 39 -2.434 10.832 6.868 1.00 1.03 H new ATOM 590 N ALA A 40 -2.669 6.719 11.083 1.00 0.93 N ATOM 591 CA ALA A 40 -2.645 6.433 12.508 1.00 1.14 C ATOM 592 C ALA A 40 -1.807 5.179 12.746 1.00 1.18 C ATOM 593 O ALA A 40 -0.908 5.167 13.579 1.00 1.57 O ATOM 594 CB ALA A 40 -4.076 6.260 13.026 1.00 1.33 C ATOM 0 H ALA A 40 -3.573 6.551 10.641 1.00 0.93 H new ATOM 0 HA ALA A 40 -2.194 7.261 13.054 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -4.053 6.046 14.094 1.00 1.33 H new ATOM 0 HB2 ALA A 40 -4.639 7.177 12.852 1.00 1.33 H new ATOM 0 HB3 ALA A 40 -4.556 5.434 12.501 1.00 1.33 H new ATOM 600 N THR A 41 -2.107 4.114 11.996 1.00 0.94 N ATOM 601 CA THR A 41 -1.377 2.860 12.053 1.00 1.02 C ATOM 602 C THR A 41 -0.076 2.953 11.246 1.00 0.95 C ATOM 603 O THR A 41 0.844 2.174 11.475 1.00 1.22 O ATOM 604 CB THR A 41 -2.277 1.751 11.491 1.00 1.22 C ATOM 605 OG1 THR A 41 -3.645 2.089 11.636 1.00 1.81 O ATOM 606 CG2 THR A 41 -1.999 0.413 12.180 1.00 1.74 C ATOM 0 H THR A 41 -2.876 4.107 11.326 1.00 0.94 H new ATOM 0 HA THR A 41 -1.110 2.636 13.086 1.00 1.02 H new ATOM 0 HB THR A 41 -2.049 1.651 10.430 1.00 1.22 H new ATOM 0 HG1 THR A 41 -4.200 1.369 11.270 1.00 1.81 H new ATOM 0 HG21 THR A 41 -2.651 -0.354 11.762 1.00 1.74 H new ATOM 0 HG22 THR A 41 -0.958 0.131 12.021 1.00 1.74 H new ATOM 0 HG23 THR A 41 -2.190 0.508 13.249 1.00 1.74 H new ATOM 614 N ASN A 42 -0.037 3.859 10.262 1.00 0.81 N ATOM 615 CA ASN A 42 1.013 3.980 9.259 1.00 0.80 C ATOM 616 C ASN A 42 1.047 2.712 8.429 1.00 0.85 C ATOM 617 O ASN A 42 2.112 2.143 8.228 1.00 1.11 O ATOM 618 CB ASN A 42 2.381 4.300 9.885 1.00 0.93 C ATOM 619 CG ASN A 42 2.288 5.555 10.726 1.00 0.79 C ATOM 620 OD1 ASN A 42 2.491 5.531 11.935 1.00 1.57 O ATOM 621 ND2 ASN A 42 1.905 6.653 10.090 1.00 1.16 N ATOM 0 H ASN A 42 -0.772 4.556 10.143 1.00 0.81 H new ATOM 0 HA ASN A 42 0.786 4.825 8.609 1.00 0.80 H new ATOM 0 HB2 ASN A 42 2.712 3.464 10.501 1.00 0.93 H new ATOM 0 HB3 ASN A 42 3.126 4.433 9.101 1.00 0.93 H new ATOM 0 HD21 ASN A 42 1.768 7.521 10.608 1.00 1.16 H new ATOM 0 HD22 ASN A 42 1.747 6.630 9.083 1.00 1.16 H new ATOM 628 N LYS A 43 -0.118 2.254 7.960 1.00 0.71 N ATOM 629 CA LYS A 43 -0.243 0.972 7.286 1.00 0.73 C ATOM 630 C LYS A 43 -1.062 1.134 6.025 1.00 0.59 C ATOM 631 O LYS A 43 -1.907 2.028 5.950 1.00 0.62 O ATOM 632 CB LYS A 43 -0.757 -0.125 8.246 1.00 0.91 C ATOM 633 CG LYS A 43 -2.137 -0.755 7.967 1.00 1.66 C ATOM 634 CD LYS A 43 -3.296 0.258 7.994 1.00 1.03 C ATOM 635 CE LYS A 43 -4.458 -0.173 8.903 1.00 1.38 C ATOM 636 NZ LYS A 43 -5.180 -1.355 8.391 1.00 2.22 N ATOM 0 H LYS A 43 -0.996 2.766 8.040 1.00 0.71 H new ATOM 0 HA LYS A 43 0.741 0.623 6.973 1.00 0.73 H new ATOM 0 HB2 LYS A 43 -0.021 -0.929 8.256 1.00 0.91 H new ATOM 0 HB3 LYS A 43 -0.782 0.298 9.250 1.00 0.91 H new ATOM 0 HG2 LYS A 43 -2.114 -1.242 6.992 1.00 1.66 H new ATOM 0 HG3 LYS A 43 -2.328 -1.532 8.707 1.00 1.66 H new ATOM 0 HD2 LYS A 43 -2.918 1.223 8.332 1.00 1.03 H new ATOM 0 HD3 LYS A 43 -3.670 0.399 6.980 1.00 1.03 H new ATOM 0 HE2 LYS A 43 -4.072 -0.392 9.898 1.00 1.38 H new ATOM 0 HE3 LYS A 43 -5.157 0.656 9.008 1.00 1.38 H new ATOM 0 HZ1 LYS A 43 -5.897 -1.651 9.084 1.00 2.22 H new ATOM 0 HZ2 LYS A 43 -5.646 -1.115 7.493 1.00 2.22 H new ATOM 0 HZ3 LYS A 43 -4.507 -2.132 8.235 1.00 2.22 H new ATOM 650 N ALA A 44 -0.810 0.250 5.060 1.00 0.66 N ATOM 651 CA ALA A 44 -1.575 0.141 3.838 1.00 0.62 C ATOM 652 C ALA A 44 -2.136 -1.262 3.736 1.00 0.68 C ATOM 653 O ALA A 44 -1.446 -2.193 3.328 1.00 0.98 O ATOM 654 CB ALA A 44 -0.699 0.501 2.647 1.00 0.67 C ATOM 0 H ALA A 44 -0.046 -0.424 5.117 1.00 0.66 H new ATOM 0 HA ALA A 44 -2.411 0.840 3.844 1.00 0.62 H new ATOM 0 HB1 ALA A 44 -1.281 0.417 1.729 1.00 0.67 H new ATOM 0 HB2 ALA A 44 -0.339 1.524 2.756 1.00 0.67 H new ATOM 0 HB3 ALA A 44 0.151 -0.180 2.601 1.00 0.67 H new ATOM 660 N HIS A 45 -3.411 -1.402 4.093 1.00 0.61 N ATOM 661 CA HIS A 45 -4.137 -2.633 3.902 1.00 0.71 C ATOM 662 C HIS A 45 -4.518 -2.663 2.433 1.00 0.69 C ATOM 663 O HIS A 45 -5.577 -2.178 2.036 1.00 0.75 O ATOM 664 CB HIS A 45 -5.328 -2.672 4.863 1.00 0.87 C ATOM 665 CG HIS A 45 -5.965 -4.031 4.955 1.00 0.93 C ATOM 666 ND1 HIS A 45 -6.077 -4.810 6.081 1.00 1.11 N ATOM 667 CD2 HIS A 45 -6.431 -4.759 3.899 1.00 0.84 C ATOM 668 CE1 HIS A 45 -6.621 -5.980 5.707 1.00 1.13 C ATOM 669 NE2 HIS A 45 -6.863 -5.997 4.382 1.00 0.98 N ATOM 0 H HIS A 45 -3.961 -0.658 4.522 1.00 0.61 H new ATOM 0 HA HIS A 45 -3.556 -3.526 4.131 1.00 0.71 H new ATOM 0 HB2 HIS A 45 -4.998 -2.364 5.855 1.00 0.87 H new ATOM 0 HB3 HIS A 45 -6.075 -1.948 4.537 1.00 0.87 H new ATOM 0 HD1 HIS A 45 -5.798 -4.548 7.027 1.00 1.11 H new ATOM 0 HD2 HIS A 45 -6.461 -4.435 2.869 1.00 0.84 H new ATOM 0 HE1 HIS A 45 -6.836 -6.798 6.379 1.00 1.13 H new ATOM 677 N ILE A 46 -3.620 -3.229 1.633 1.00 0.71 N ATOM 678 CA ILE A 46 -3.913 -3.627 0.274 1.00 0.64 C ATOM 679 C ILE A 46 -4.334 -5.089 0.302 1.00 0.62 C ATOM 680 O ILE A 46 -3.756 -5.888 1.042 1.00 0.88 O ATOM 681 CB ILE A 46 -2.714 -3.367 -0.650 1.00 0.72 C ATOM 682 CG1 ILE A 46 -1.580 -4.388 -0.456 1.00 2.21 C ATOM 683 CG2 ILE A 46 -2.209 -1.937 -0.429 1.00 2.40 C ATOM 684 CD1 ILE A 46 -0.335 -3.998 -1.248 1.00 3.12 C ATOM 0 H ILE A 46 -2.661 -3.423 1.920 1.00 0.71 H new ATOM 0 HA ILE A 46 -4.728 -3.031 -0.137 1.00 0.64 H new ATOM 0 HB ILE A 46 -3.052 -3.485 -1.680 1.00 0.72 H new ATOM 0 HG12 ILE A 46 -1.331 -4.460 0.603 1.00 2.21 H new ATOM 0 HG13 ILE A 46 -1.919 -5.375 -0.772 1.00 2.21 H new ATOM 0 HG21 ILE A 46 -1.358 -1.747 -1.082 1.00 2.40 H new ATOM 0 HG22 ILE A 46 -3.007 -1.230 -0.657 1.00 2.40 H new ATOM 0 HG23 ILE A 46 -1.903 -1.816 0.610 1.00 2.40 H new ATOM 0 HD11 ILE A 46 0.446 -4.741 -1.088 1.00 3.12 H new ATOM 0 HD12 ILE A 46 -0.579 -3.951 -2.309 1.00 3.12 H new ATOM 0 HD13 ILE A 46 0.018 -3.023 -0.913 1.00 3.12 H new ATOM 696 N LYS A 47 -5.328 -5.436 -0.511 1.00 0.52 N ATOM 697 CA LYS A 47 -5.579 -6.804 -0.903 1.00 0.49 C ATOM 698 C LYS A 47 -5.265 -6.887 -2.389 1.00 0.48 C ATOM 699 O LYS A 47 -5.700 -6.013 -3.142 1.00 0.59 O ATOM 700 CB LYS A 47 -7.016 -7.211 -0.595 1.00 0.59 C ATOM 701 CG LYS A 47 -7.263 -7.276 0.918 1.00 0.55 C ATOM 702 CD LYS A 47 -8.399 -8.268 1.199 1.00 1.03 C ATOM 703 CE LYS A 47 -8.518 -8.606 2.691 1.00 1.74 C ATOM 704 NZ LYS A 47 -9.167 -9.921 2.881 1.00 2.49 N ATOM 0 H LYS A 47 -5.982 -4.765 -0.915 1.00 0.52 H new ATOM 0 HA LYS A 47 -4.954 -7.499 -0.343 1.00 0.49 H new ATOM 0 HB2 LYS A 47 -7.704 -6.497 -1.048 1.00 0.59 H new ATOM 0 HB3 LYS A 47 -7.225 -8.183 -1.042 1.00 0.59 H new ATOM 0 HG2 LYS A 47 -6.355 -7.588 1.434 1.00 0.55 H new ATOM 0 HG3 LYS A 47 -7.523 -6.289 1.299 1.00 0.55 H new ATOM 0 HD2 LYS A 47 -9.341 -7.848 0.847 1.00 1.03 H new ATOM 0 HD3 LYS A 47 -8.227 -9.184 0.633 1.00 1.03 H new ATOM 0 HE2 LYS A 47 -7.528 -8.615 3.147 1.00 1.74 H new ATOM 0 HE3 LYS A 47 -9.096 -7.834 3.199 1.00 1.74 H new ATOM 0 HZ1 LYS A 47 -9.237 -10.130 3.897 1.00 2.49 H new ATOM 0 HZ2 LYS A 47 -10.120 -9.901 2.465 1.00 2.49 H new ATOM 0 HZ3 LYS A 47 -8.601 -10.658 2.415 1.00 2.49 H new ATOM 718 N TYR A 48 -4.467 -7.878 -2.788 1.00 0.62 N ATOM 719 CA TYR A 48 -3.847 -7.932 -4.101 1.00 0.63 C ATOM 720 C TYR A 48 -3.837 -9.355 -4.653 1.00 0.58 C ATOM 721 O TYR A 48 -3.972 -10.316 -3.893 1.00 0.74 O ATOM 722 CB TYR A 48 -2.429 -7.349 -4.021 1.00 0.73 C ATOM 723 CG TYR A 48 -1.389 -8.237 -3.354 1.00 0.73 C ATOM 724 CD1 TYR A 48 -1.351 -8.350 -1.954 1.00 1.66 C ATOM 725 CD2 TYR A 48 -0.459 -8.956 -4.130 1.00 1.57 C ATOM 726 CE1 TYR A 48 -0.456 -9.250 -1.349 1.00 1.80 C ATOM 727 CE2 TYR A 48 0.535 -9.731 -3.511 1.00 1.59 C ATOM 728 CZ TYR A 48 0.513 -9.908 -2.120 1.00 1.00 C ATOM 729 OH TYR A 48 1.408 -10.738 -1.513 1.00 1.20 O ATOM 0 H TYR A 48 -4.233 -8.675 -2.195 1.00 0.62 H new ATOM 0 HA TYR A 48 -4.435 -7.330 -4.794 1.00 0.63 H new ATOM 0 HB2 TYR A 48 -2.092 -7.122 -5.032 1.00 0.73 H new ATOM 0 HB3 TYR A 48 -2.474 -6.404 -3.480 1.00 0.73 H new ATOM 0 HD1 TYR A 48 -2.008 -7.747 -1.344 1.00 1.66 H new ATOM 0 HD2 TYR A 48 -0.511 -8.911 -5.208 1.00 1.57 H new ATOM 0 HE1 TYR A 48 -0.515 -9.435 -0.287 1.00 1.80 H new ATOM 0 HE2 TYR A 48 1.313 -10.189 -4.104 1.00 1.59 H new ATOM 0 HH TYR A 48 2.011 -11.117 -2.186 1.00 1.20 H new ATOM 739 N ASP A 49 -3.658 -9.463 -5.971 1.00 0.59 N ATOM 740 CA ASP A 49 -3.584 -10.709 -6.721 1.00 0.69 C ATOM 741 C ASP A 49 -2.108 -11.111 -6.833 1.00 0.65 C ATOM 742 O ASP A 49 -1.387 -10.498 -7.629 1.00 0.78 O ATOM 743 CB ASP A 49 -4.171 -10.482 -8.121 1.00 1.00 C ATOM 744 CG ASP A 49 -5.629 -10.059 -8.080 1.00 2.67 C ATOM 745 OD1 ASP A 49 -6.480 -10.969 -7.989 1.00 3.20 O ATOM 746 OD2 ASP A 49 -5.859 -8.831 -8.148 1.00 4.34 O ATOM 0 H ASP A 49 -3.556 -8.643 -6.569 1.00 0.59 H new ATOM 0 HA ASP A 49 -4.147 -11.497 -6.221 1.00 0.69 H new ATOM 0 HB2 ASP A 49 -3.589 -9.718 -8.636 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -4.079 -11.399 -8.703 1.00 1.00 H new ATOM 751 N PRO A 50 -1.629 -12.102 -6.056 1.00 0.75 N ATOM 752 CA PRO A 50 -0.209 -12.401 -5.901 1.00 0.91 C ATOM 753 C PRO A 50 0.323 -13.200 -7.095 1.00 1.25 C ATOM 754 O PRO A 50 0.826 -14.312 -6.946 1.00 2.45 O ATOM 755 CB PRO A 50 -0.122 -13.174 -4.581 1.00 1.12 C ATOM 756 CG PRO A 50 -1.428 -13.965 -4.576 1.00 1.19 C ATOM 757 CD PRO A 50 -2.418 -12.984 -5.206 1.00 0.95 C ATOM 0 HA PRO A 50 0.412 -11.505 -5.875 1.00 0.91 H new ATOM 0 HB2 PRO A 50 0.749 -13.828 -4.550 1.00 1.12 H new ATOM 0 HB3 PRO A 50 -0.049 -12.506 -3.723 1.00 1.12 H new ATOM 0 HG2 PRO A 50 -1.346 -14.885 -5.154 1.00 1.19 H new ATOM 0 HG3 PRO A 50 -1.726 -14.249 -3.567 1.00 1.19 H new ATOM 0 HD2 PRO A 50 -3.173 -13.512 -5.788 1.00 0.95 H new ATOM 0 HD3 PRO A 50 -2.946 -12.417 -4.439 1.00 0.95 H new ATOM 765 N GLU A 51 0.210 -12.607 -8.282 1.00 0.76 N ATOM 766 CA GLU A 51 0.496 -13.207 -9.573 1.00 0.89 C ATOM 767 C GLU A 51 0.387 -12.113 -10.639 1.00 0.86 C ATOM 768 O GLU A 51 1.308 -11.920 -11.431 1.00 1.31 O ATOM 769 CB GLU A 51 -0.414 -14.428 -9.830 1.00 1.16 C ATOM 770 CG GLU A 51 -1.915 -14.231 -9.541 1.00 2.10 C ATOM 771 CD GLU A 51 -2.677 -15.555 -9.593 1.00 2.36 C ATOM 772 OE1 GLU A 51 -2.490 -16.273 -10.599 1.00 2.51 O ATOM 773 OE2 GLU A 51 -3.434 -15.832 -8.635 1.00 3.29 O ATOM 0 H GLU A 51 -0.102 -11.640 -8.368 1.00 0.76 H new ATOM 0 HA GLU A 51 1.510 -13.606 -9.604 1.00 0.89 H new ATOM 0 HB2 GLU A 51 -0.302 -14.725 -10.873 1.00 1.16 H new ATOM 0 HB3 GLU A 51 -0.054 -15.258 -9.222 1.00 1.16 H new ATOM 0 HG2 GLU A 51 -2.040 -13.777 -8.558 1.00 2.10 H new ATOM 0 HG3 GLU A 51 -2.338 -13.538 -10.268 1.00 2.10 H new ATOM 780 N ILE A 52 -0.706 -11.344 -10.619 1.00 0.76 N ATOM 781 CA ILE A 52 -0.869 -10.184 -11.490 1.00 0.83 C ATOM 782 C ILE A 52 0.006 -9.025 -10.984 1.00 0.80 C ATOM 783 O ILE A 52 0.558 -8.260 -11.785 1.00 0.96 O ATOM 784 CB ILE A 52 -2.349 -9.763 -11.577 1.00 0.89 C ATOM 785 CG1 ILE A 52 -3.318 -10.930 -11.829 1.00 2.24 C ATOM 786 CG2 ILE A 52 -2.529 -8.705 -12.677 1.00 2.00 C ATOM 787 CD1 ILE A 52 -4.774 -10.451 -11.878 1.00 3.14 C ATOM 0 H ILE A 52 -1.499 -11.510 -9.999 1.00 0.76 H new ATOM 0 HA ILE A 52 -0.545 -10.453 -12.496 1.00 0.83 H new ATOM 0 HB ILE A 52 -2.602 -9.355 -10.599 1.00 0.89 H new ATOM 0 HG12 ILE A 52 -3.063 -11.419 -12.769 1.00 2.24 H new ATOM 0 HG13 ILE A 52 -3.205 -11.675 -11.041 1.00 2.24 H new ATOM 0 HG21 ILE A 52 -3.578 -8.413 -12.732 1.00 2.00 H new ATOM 0 HG22 ILE A 52 -1.920 -7.831 -12.444 1.00 2.00 H new ATOM 0 HG23 ILE A 52 -2.217 -9.120 -13.635 1.00 2.00 H new ATOM 0 HD11 ILE A 52 -5.431 -11.302 -12.058 1.00 3.14 H new ATOM 0 HD12 ILE A 52 -5.036 -9.985 -10.928 1.00 3.14 H new ATOM 0 HD13 ILE A 52 -4.891 -9.726 -12.683 1.00 3.14 H new ATOM 799 N ILE A 53 0.116 -8.860 -9.660 1.00 0.70 N ATOM 800 CA ILE A 53 0.945 -7.848 -9.032 1.00 0.72 C ATOM 801 C ILE A 53 1.806 -8.570 -7.997 1.00 0.82 C ATOM 802 O ILE A 53 1.301 -9.329 -7.171 1.00 1.26 O ATOM 803 CB ILE A 53 0.061 -6.699 -8.488 1.00 0.73 C ATOM 804 CG1 ILE A 53 0.763 -5.340 -8.491 1.00 1.10 C ATOM 805 CG2 ILE A 53 -0.441 -6.954 -7.070 1.00 1.15 C ATOM 806 CD1 ILE A 53 -0.210 -4.159 -8.472 1.00 1.24 C ATOM 0 H ILE A 53 -0.384 -9.444 -8.989 1.00 0.70 H new ATOM 0 HA ILE A 53 1.620 -7.349 -9.727 1.00 0.72 H new ATOM 0 HB ILE A 53 -0.781 -6.674 -9.180 1.00 0.73 H new ATOM 0 HG12 ILE A 53 1.420 -5.276 -7.623 1.00 1.10 H new ATOM 0 HG13 ILE A 53 1.396 -5.267 -9.376 1.00 1.10 H new ATOM 0 HG21 ILE A 53 -1.054 -6.114 -6.745 1.00 1.15 H new ATOM 0 HG22 ILE A 53 -1.037 -7.866 -7.054 1.00 1.15 H new ATOM 0 HG23 ILE A 53 0.410 -7.064 -6.397 1.00 1.15 H new ATOM 0 HD11 ILE A 53 0.352 -3.225 -8.475 1.00 1.24 H new ATOM 0 HD12 ILE A 53 -0.850 -4.201 -9.353 1.00 1.24 H new ATOM 0 HD13 ILE A 53 -0.826 -4.209 -7.574 1.00 1.24 H new ATOM 818 N GLY A 54 3.118 -8.384 -8.076 1.00 0.87 N ATOM 819 CA GLY A 54 4.027 -8.796 -7.023 1.00 0.89 C ATOM 820 C GLY A 54 3.920 -7.796 -5.874 1.00 0.83 C ATOM 821 O GLY A 54 3.244 -6.778 -6.000 1.00 0.99 O ATOM 0 H GLY A 54 3.578 -7.943 -8.873 1.00 0.87 H new ATOM 0 HA2 GLY A 54 3.777 -9.799 -6.677 1.00 0.89 H new ATOM 0 HA3 GLY A 54 5.050 -8.834 -7.398 1.00 0.89 H new ATOM 825 N PRO A 55 4.597 -8.036 -4.745 1.00 0.82 N ATOM 826 CA PRO A 55 4.618 -7.082 -3.651 1.00 0.85 C ATOM 827 C PRO A 55 5.307 -5.786 -4.094 1.00 0.89 C ATOM 828 O PRO A 55 4.798 -4.685 -3.873 1.00 1.04 O ATOM 829 CB PRO A 55 5.364 -7.795 -2.516 1.00 1.03 C ATOM 830 CG PRO A 55 6.238 -8.832 -3.225 1.00 1.12 C ATOM 831 CD PRO A 55 5.416 -9.202 -4.461 1.00 0.98 C ATOM 0 HA PRO A 55 3.622 -6.783 -3.324 1.00 0.85 H new ATOM 0 HB2 PRO A 55 5.968 -7.096 -1.937 1.00 1.03 H new ATOM 0 HB3 PRO A 55 4.671 -8.269 -1.821 1.00 1.03 H new ATOM 0 HG2 PRO A 55 7.210 -8.420 -3.497 1.00 1.12 H new ATOM 0 HG3 PRO A 55 6.425 -9.700 -2.592 1.00 1.12 H new ATOM 0 HD2 PRO A 55 6.063 -9.443 -5.305 1.00 0.98 H new ATOM 0 HD3 PRO A 55 4.798 -10.080 -4.273 1.00 0.98 H new ATOM 839 N ARG A 56 6.485 -5.911 -4.718 1.00 0.88 N ATOM 840 CA ARG A 56 7.323 -4.754 -4.977 1.00 0.92 C ATOM 841 C ARG A 56 6.746 -3.814 -6.045 1.00 0.95 C ATOM 842 O ARG A 56 7.085 -2.632 -6.044 1.00 1.11 O ATOM 843 CB ARG A 56 8.800 -5.136 -5.170 1.00 1.08 C ATOM 844 CG ARG A 56 9.647 -3.855 -5.207 1.00 2.28 C ATOM 845 CD ARG A 56 11.112 -4.017 -4.789 1.00 2.89 C ATOM 846 NE ARG A 56 11.822 -2.743 -5.005 1.00 4.01 N ATOM 847 CZ ARG A 56 11.813 -1.659 -4.206 1.00 5.20 C ATOM 848 NH1 ARG A 56 11.420 -1.732 -2.933 1.00 5.96 N ATOM 849 NH2 ARG A 56 12.158 -0.484 -4.733 1.00 6.18 N ATOM 0 H ARG A 56 6.869 -6.797 -5.047 1.00 0.88 H new ATOM 0 HA ARG A 56 7.312 -4.145 -4.073 1.00 0.92 H new ATOM 0 HB2 ARG A 56 9.131 -5.783 -4.357 1.00 1.08 H new ATOM 0 HB3 ARG A 56 8.926 -5.697 -6.096 1.00 1.08 H new ATOM 0 HG2 ARG A 56 9.619 -3.452 -6.219 1.00 2.28 H new ATOM 0 HG3 ARG A 56 9.182 -3.115 -4.556 1.00 2.28 H new ATOM 0 HD2 ARG A 56 11.173 -4.308 -3.740 1.00 2.89 H new ATOM 0 HD3 ARG A 56 11.582 -4.812 -5.368 1.00 2.89 H new ATOM 0 HE ARG A 56 12.383 -2.675 -5.854 1.00 4.01 H new ATOM 0 HH11 ARG A 56 11.117 -2.624 -2.543 1.00 5.96 H new ATOM 0 HH12 ARG A 56 11.423 -0.895 -2.350 1.00 5.96 H new ATOM 0 HH21 ARG A 56 12.419 -0.423 -5.717 1.00 6.18 H new ATOM 0 HH22 ARG A 56 12.160 0.354 -4.152 1.00 6.18 H new ATOM 863 N ASP A 57 5.839 -4.298 -6.904 1.00 0.88 N ATOM 864 CA ASP A 57 5.032 -3.448 -7.779 1.00 0.93 C ATOM 865 C ASP A 57 4.453 -2.279 -6.974 1.00 0.83 C ATOM 866 O ASP A 57 4.656 -1.114 -7.306 1.00 0.94 O ATOM 867 CB ASP A 57 3.848 -4.246 -8.342 1.00 0.94 C ATOM 868 CG ASP A 57 4.124 -5.116 -9.558 1.00 1.65 C ATOM 869 OD1 ASP A 57 3.987 -4.591 -10.686 1.00 2.84 O ATOM 870 OD2 ASP A 57 4.285 -6.340 -9.381 1.00 2.20 O ATOM 0 H ASP A 57 5.646 -5.294 -7.009 1.00 0.88 H new ATOM 0 HA ASP A 57 5.669 -3.087 -8.586 1.00 0.93 H new ATOM 0 HB2 ASP A 57 3.461 -4.885 -7.548 1.00 0.94 H new ATOM 0 HB3 ASP A 57 3.056 -3.543 -8.600 1.00 0.94 H new ATOM 875 N ILE A 58 3.707 -2.601 -5.912 1.00 0.74 N ATOM 876 CA ILE A 58 3.039 -1.592 -5.102 1.00 0.86 C ATOM 877 C ILE A 58 4.081 -0.724 -4.415 1.00 0.87 C ATOM 878 O ILE A 58 3.988 0.506 -4.422 1.00 0.87 O ATOM 879 CB ILE A 58 2.101 -2.241 -4.070 1.00 0.94 C ATOM 880 CG1 ILE A 58 0.987 -3.036 -4.773 1.00 0.80 C ATOM 881 CG2 ILE A 58 1.491 -1.179 -3.142 1.00 1.29 C ATOM 882 CD1 ILE A 58 1.189 -4.533 -4.554 1.00 1.15 C ATOM 0 H ILE A 58 3.554 -3.559 -5.597 1.00 0.74 H new ATOM 0 HA ILE A 58 2.426 -0.968 -5.752 1.00 0.86 H new ATOM 0 HB ILE A 58 2.691 -2.929 -3.465 1.00 0.94 H new ATOM 0 HG12 ILE A 58 0.014 -2.733 -4.386 1.00 0.80 H new ATOM 0 HG13 ILE A 58 0.989 -2.814 -5.840 1.00 0.80 H new ATOM 0 HG21 ILE A 58 0.831 -1.662 -2.421 1.00 1.29 H new ATOM 0 HG22 ILE A 58 2.288 -0.658 -2.612 1.00 1.29 H new ATOM 0 HG23 ILE A 58 0.920 -0.463 -3.734 1.00 1.29 H new ATOM 0 HD11 ILE A 58 0.394 -5.085 -5.056 1.00 1.15 H new ATOM 0 HD12 ILE A 58 2.154 -4.834 -4.963 1.00 1.15 H new ATOM 0 HD13 ILE A 58 1.163 -4.751 -3.486 1.00 1.15 H new ATOM 894 N ILE A 59 5.065 -1.374 -3.798 1.00 0.84 N ATOM 895 CA ILE A 59 6.077 -0.668 -3.040 1.00 0.80 C ATOM 896 C ILE A 59 6.780 0.369 -3.921 1.00 0.75 C ATOM 897 O ILE A 59 6.984 1.489 -3.470 1.00 0.69 O ATOM 898 CB ILE A 59 7.012 -1.674 -2.367 1.00 0.79 C ATOM 899 CG1 ILE A 59 6.231 -2.450 -1.291 1.00 0.95 C ATOM 900 CG2 ILE A 59 8.212 -0.959 -1.752 1.00 0.77 C ATOM 901 CD1 ILE A 59 6.901 -3.781 -0.958 1.00 1.23 C ATOM 0 H ILE A 59 5.177 -2.388 -3.812 1.00 0.84 H new ATOM 0 HA ILE A 59 5.622 -0.094 -2.233 1.00 0.80 H new ATOM 0 HB ILE A 59 7.387 -2.375 -3.113 1.00 0.79 H new ATOM 0 HG12 ILE A 59 6.156 -1.844 -0.388 1.00 0.95 H new ATOM 0 HG13 ILE A 59 5.214 -2.631 -1.639 1.00 0.95 H new ATOM 0 HG21 ILE A 59 8.867 -1.690 -1.277 1.00 0.77 H new ATOM 0 HG22 ILE A 59 8.761 -0.433 -2.533 1.00 0.77 H new ATOM 0 HG23 ILE A 59 7.866 -0.243 -1.006 1.00 0.77 H new ATOM 0 HD11 ILE A 59 6.321 -4.300 -0.195 1.00 1.23 H new ATOM 0 HD12 ILE A 59 6.953 -4.397 -1.856 1.00 1.23 H new ATOM 0 HD13 ILE A 59 7.909 -3.598 -0.585 1.00 1.23 H new ATOM 913 N HIS A 60 7.088 0.045 -5.182 1.00 0.84 N ATOM 914 CA HIS A 60 7.616 1.030 -6.124 1.00 0.87 C ATOM 915 C HIS A 60 6.730 2.272 -6.196 1.00 0.76 C ATOM 916 O HIS A 60 7.251 3.381 -6.249 1.00 0.72 O ATOM 917 CB HIS A 60 7.819 0.426 -7.524 1.00 1.09 C ATOM 918 CG HIS A 60 9.187 -0.171 -7.725 1.00 1.24 C ATOM 919 ND1 HIS A 60 10.005 0.010 -8.818 1.00 2.52 N ATOM 920 CD2 HIS A 60 9.917 -0.824 -6.775 1.00 1.78 C ATOM 921 CE1 HIS A 60 11.201 -0.533 -8.526 1.00 3.05 C ATOM 922 NE2 HIS A 60 11.205 -1.047 -7.283 1.00 2.76 N ATOM 0 H HIS A 60 6.980 -0.892 -5.571 1.00 0.84 H new ATOM 0 HA HIS A 60 8.592 1.336 -5.747 1.00 0.87 H new ATOM 0 HB2 HIS A 60 7.066 -0.344 -7.692 1.00 1.09 H new ATOM 0 HB3 HIS A 60 7.655 1.201 -8.273 1.00 1.09 H new ATOM 0 HD1 HIS A 60 9.750 0.472 -9.691 1.00 2.52 H new ATOM 0 HD2 HIS A 60 9.563 -1.119 -5.798 1.00 1.78 H new ATOM 0 HE1 HIS A 60 12.045 -0.553 -9.200 1.00 3.05 H new ATOM 930 N THR A 61 5.405 2.116 -6.191 1.00 0.79 N ATOM 931 CA THR A 61 4.519 3.276 -6.221 1.00 0.83 C ATOM 932 C THR A 61 4.671 4.063 -4.917 1.00 0.67 C ATOM 933 O THR A 61 4.891 5.272 -4.939 1.00 0.76 O ATOM 934 CB THR A 61 3.067 2.850 -6.480 1.00 1.00 C ATOM 935 OG1 THR A 61 3.018 2.053 -7.643 1.00 1.18 O ATOM 936 CG2 THR A 61 2.165 4.072 -6.688 1.00 1.23 C ATOM 0 H THR A 61 4.930 1.214 -6.167 1.00 0.79 H new ATOM 0 HA THR A 61 4.800 3.930 -7.046 1.00 0.83 H new ATOM 0 HB THR A 61 2.714 2.292 -5.613 1.00 1.00 H new ATOM 0 HG1 THR A 61 2.084 1.854 -7.864 1.00 1.18 H new ATOM 0 HG21 THR A 61 1.142 3.742 -6.870 1.00 1.23 H new ATOM 0 HG22 THR A 61 2.191 4.700 -5.797 1.00 1.23 H new ATOM 0 HG23 THR A 61 2.519 4.644 -7.545 1.00 1.23 H new ATOM 944 N ILE A 62 4.561 3.371 -3.783 1.00 0.51 N ATOM 945 CA ILE A 62 4.686 3.960 -2.450 1.00 0.45 C ATOM 946 C ILE A 62 5.989 4.777 -2.334 1.00 0.51 C ATOM 947 O ILE A 62 5.944 5.969 -2.012 1.00 0.63 O ATOM 948 CB ILE A 62 4.481 2.832 -1.407 1.00 0.41 C ATOM 949 CG1 ILE A 62 3.015 2.753 -0.948 1.00 0.49 C ATOM 950 CG2 ILE A 62 5.358 2.919 -0.156 1.00 0.86 C ATOM 951 CD1 ILE A 62 2.021 2.568 -2.100 1.00 2.05 C ATOM 0 H ILE A 62 4.379 2.367 -3.765 1.00 0.51 H new ATOM 0 HA ILE A 62 3.912 4.701 -2.249 1.00 0.45 H new ATOM 0 HB ILE A 62 4.784 1.936 -1.948 1.00 0.41 H new ATOM 0 HG12 ILE A 62 2.906 1.924 -0.248 1.00 0.49 H new ATOM 0 HG13 ILE A 62 2.763 3.664 -0.405 1.00 0.49 H new ATOM 0 HG21 ILE A 62 5.133 2.082 0.505 1.00 0.86 H new ATOM 0 HG22 ILE A 62 6.408 2.881 -0.445 1.00 0.86 H new ATOM 0 HG23 ILE A 62 5.158 3.856 0.364 1.00 0.86 H new ATOM 0 HD11 ILE A 62 1.007 2.521 -1.702 1.00 2.05 H new ATOM 0 HD12 ILE A 62 2.101 3.409 -2.789 1.00 2.05 H new ATOM 0 HD13 ILE A 62 2.246 1.642 -2.630 1.00 2.05 H new ATOM 963 N GLU A 63 7.124 4.163 -2.674 1.00 0.48 N ATOM 964 CA GLU A 63 8.424 4.814 -2.742 1.00 0.58 C ATOM 965 C GLU A 63 8.375 6.001 -3.711 1.00 0.56 C ATOM 966 O GLU A 63 8.705 7.124 -3.339 1.00 0.64 O ATOM 967 CB GLU A 63 9.490 3.792 -3.175 1.00 0.71 C ATOM 968 CG GLU A 63 9.763 2.716 -2.107 1.00 0.84 C ATOM 969 CD GLU A 63 10.731 1.642 -2.596 1.00 0.88 C ATOM 970 OE1 GLU A 63 11.253 1.773 -3.723 1.00 1.88 O ATOM 971 OE2 GLU A 63 10.938 0.649 -1.865 1.00 1.72 O ATOM 0 H GLU A 63 7.160 3.173 -2.915 1.00 0.48 H new ATOM 0 HA GLU A 63 8.688 5.197 -1.756 1.00 0.58 H new ATOM 0 HB2 GLU A 63 9.167 3.307 -4.096 1.00 0.71 H new ATOM 0 HB3 GLU A 63 10.419 4.317 -3.399 1.00 0.71 H new ATOM 0 HG2 GLU A 63 10.171 3.190 -1.214 1.00 0.84 H new ATOM 0 HG3 GLU A 63 8.822 2.248 -1.818 1.00 0.84 H new ATOM 978 N SER A 64 7.977 5.746 -4.960 1.00 0.56 N ATOM 979 CA SER A 64 8.040 6.730 -6.034 1.00 0.67 C ATOM 980 C SER A 64 7.108 7.919 -5.807 1.00 0.60 C ATOM 981 O SER A 64 7.316 8.951 -6.443 1.00 0.70 O ATOM 982 CB SER A 64 7.752 6.079 -7.392 1.00 0.82 C ATOM 983 OG SER A 64 7.993 7.006 -8.437 1.00 1.56 O ATOM 0 H SER A 64 7.600 4.844 -5.252 1.00 0.56 H new ATOM 0 HA SER A 64 9.058 7.119 -6.033 1.00 0.67 H new ATOM 0 HB2 SER A 64 8.382 5.199 -7.523 1.00 0.82 H new ATOM 0 HB3 SER A 64 6.717 5.738 -7.429 1.00 0.82 H new ATOM 0 HG SER A 64 7.814 7.915 -8.116 1.00 1.56 H new ATOM 989 N LEU A 65 6.070 7.783 -4.975 1.00 0.57 N ATOM 990 CA LEU A 65 5.321 8.930 -4.490 1.00 0.66 C ATOM 991 C LEU A 65 6.208 9.690 -3.498 1.00 0.78 C ATOM 992 O LEU A 65 7.006 10.530 -3.909 1.00 1.18 O ATOM 993 CB LEU A 65 3.992 8.466 -3.877 1.00 0.69 C ATOM 994 CG LEU A 65 2.987 7.952 -4.918 1.00 0.75 C ATOM 995 CD1 LEU A 65 1.912 7.130 -4.201 1.00 2.03 C ATOM 996 CD2 LEU A 65 2.322 9.101 -5.685 1.00 1.74 C ATOM 0 H LEU A 65 5.735 6.885 -4.627 1.00 0.57 H new ATOM 0 HA LEU A 65 5.061 9.609 -5.302 1.00 0.66 H new ATOM 0 HB2 LEU A 65 4.191 7.675 -3.153 1.00 0.69 H new ATOM 0 HB3 LEU A 65 3.544 9.295 -3.329 1.00 0.69 H new ATOM 0 HG LEU A 65 3.526 7.339 -5.641 1.00 0.75 H new ATOM 0 HD11 LEU A 65 1.191 6.759 -4.930 1.00 2.03 H new ATOM 0 HD12 LEU A 65 2.378 6.287 -3.690 1.00 2.03 H new ATOM 0 HD13 LEU A 65 1.400 7.758 -3.472 1.00 2.03 H new ATOM 0 HD21 LEU A 65 1.618 8.694 -6.411 1.00 1.74 H new ATOM 0 HD22 LEU A 65 1.790 9.745 -4.985 1.00 1.74 H new ATOM 0 HD23 LEU A 65 3.085 9.681 -6.204 1.00 1.74 H new ATOM 1008 N GLY A 66 6.060 9.446 -2.194 1.00 0.70 N ATOM 1009 CA GLY A 66 6.991 9.982 -1.212 1.00 0.84 C ATOM 1010 C GLY A 66 6.945 9.210 0.101 1.00 0.85 C ATOM 1011 O GLY A 66 7.017 9.838 1.155 1.00 1.14 O ATOM 0 H GLY A 66 5.306 8.883 -1.800 1.00 0.70 H new ATOM 0 HA2 GLY A 66 8.003 9.949 -1.616 1.00 0.84 H new ATOM 0 HA3 GLY A 66 6.756 11.030 -1.025 1.00 0.84 H new ATOM 1015 N PHE A 67 6.768 7.884 0.058 1.00 0.75 N ATOM 1016 CA PHE A 67 6.417 7.117 1.247 1.00 0.78 C ATOM 1017 C PHE A 67 7.316 5.892 1.374 1.00 0.87 C ATOM 1018 O PHE A 67 7.428 5.106 0.439 1.00 1.54 O ATOM 1019 CB PHE A 67 4.945 6.707 1.148 1.00 0.76 C ATOM 1020 CG PHE A 67 4.008 7.872 0.909 1.00 0.70 C ATOM 1021 CD1 PHE A 67 3.962 8.917 1.844 1.00 1.76 C ATOM 1022 CD2 PHE A 67 3.312 7.989 -0.308 1.00 1.54 C ATOM 1023 CE1 PHE A 67 3.215 10.072 1.574 1.00 1.84 C ATOM 1024 CE2 PHE A 67 2.541 9.136 -0.568 1.00 1.45 C ATOM 1025 CZ PHE A 67 2.480 10.169 0.382 1.00 0.71 C ATOM 0 H PHE A 67 6.863 7.325 -0.790 1.00 0.75 H new ATOM 0 HA PHE A 67 6.563 7.727 2.139 1.00 0.78 H new ATOM 0 HB2 PHE A 67 4.830 5.987 0.338 1.00 0.76 H new ATOM 0 HB3 PHE A 67 4.655 6.200 2.068 1.00 0.76 H new ATOM 0 HD1 PHE A 67 4.504 8.831 2.774 1.00 1.76 H new ATOM 0 HD2 PHE A 67 3.370 7.199 -1.042 1.00 1.54 H new ATOM 0 HE1 PHE A 67 3.205 10.887 2.283 1.00 1.84 H new ATOM 0 HE2 PHE A 67 1.997 9.223 -1.497 1.00 1.45 H new ATOM 0 HZ PHE A 67 1.867 11.038 0.195 1.00 0.71 H new ATOM 1035 N GLU A 68 7.941 5.714 2.533 1.00 0.49 N ATOM 1036 CA GLU A 68 8.804 4.577 2.803 1.00 0.59 C ATOM 1037 C GLU A 68 7.926 3.364 3.123 1.00 0.66 C ATOM 1038 O GLU A 68 6.760 3.525 3.485 1.00 0.83 O ATOM 1039 CB GLU A 68 9.775 4.899 3.952 1.00 0.79 C ATOM 1040 CG GLU A 68 10.363 6.323 3.894 1.00 1.93 C ATOM 1041 CD GLU A 68 9.567 7.319 4.732 1.00 3.05 C ATOM 1042 OE1 GLU A 68 8.390 7.558 4.392 1.00 4.16 O ATOM 1043 OE2 GLU A 68 10.113 7.756 5.770 1.00 3.71 O ATOM 0 H GLU A 68 7.860 6.362 3.316 1.00 0.49 H new ATOM 0 HA GLU A 68 9.413 4.350 1.928 1.00 0.59 H new ATOM 0 HB2 GLU A 68 9.255 4.770 4.901 1.00 0.79 H new ATOM 0 HB3 GLU A 68 10.593 4.178 3.936 1.00 0.79 H new ATOM 0 HG2 GLU A 68 11.395 6.301 4.245 1.00 1.93 H new ATOM 0 HG3 GLU A 68 10.386 6.661 2.858 1.00 1.93 H new ATOM 1050 N ALA A 69 8.471 2.152 2.993 1.00 0.77 N ATOM 1051 CA ALA A 69 7.727 0.907 3.136 1.00 0.90 C ATOM 1052 C ALA A 69 8.468 -0.050 4.066 1.00 0.81 C ATOM 1053 O ALA A 69 9.693 -0.130 4.007 1.00 1.00 O ATOM 1054 CB ALA A 69 7.587 0.264 1.755 1.00 1.50 C ATOM 0 H ALA A 69 9.459 2.010 2.782 1.00 0.77 H new ATOM 0 HA ALA A 69 6.745 1.117 3.561 1.00 0.90 H new ATOM 0 HB1 ALA A 69 7.032 -0.670 1.843 1.00 1.50 H new ATOM 0 HB2 ALA A 69 7.052 0.942 1.090 1.00 1.50 H new ATOM 0 HB3 ALA A 69 8.577 0.061 1.346 1.00 1.50 H new ATOM 1060 N SER A 70 7.736 -0.799 4.896 1.00 0.74 N ATOM 1061 CA SER A 70 8.277 -1.925 5.644 1.00 0.82 C ATOM 1062 C SER A 70 7.136 -2.889 5.970 1.00 0.76 C ATOM 1063 O SER A 70 6.136 -2.477 6.551 1.00 0.79 O ATOM 1064 CB SER A 70 8.963 -1.429 6.922 1.00 0.93 C ATOM 1065 OG SER A 70 9.674 -2.496 7.517 1.00 2.28 O ATOM 0 H SER A 70 6.744 -0.635 5.065 1.00 0.74 H new ATOM 0 HA SER A 70 9.026 -2.446 5.048 1.00 0.82 H new ATOM 0 HB2 SER A 70 9.643 -0.610 6.689 1.00 0.93 H new ATOM 0 HB3 SER A 70 8.221 -1.039 7.618 1.00 0.93 H new ATOM 0 HG SER A 70 10.115 -2.180 8.333 1.00 2.28 H new ATOM 1071 N LEU A 71 7.250 -4.162 5.585 1.00 0.82 N ATOM 1072 CA LEU A 71 6.278 -5.168 6.000 1.00 0.80 C ATOM 1073 C LEU A 71 6.472 -5.474 7.485 1.00 0.92 C ATOM 1074 O LEU A 71 7.601 -5.491 7.968 1.00 1.52 O ATOM 1075 CB LEU A 71 6.359 -6.410 5.097 1.00 0.97 C ATOM 1076 CG LEU A 71 7.670 -7.212 5.210 1.00 1.64 C ATOM 1077 CD1 LEU A 71 7.537 -8.371 6.209 1.00 2.83 C ATOM 1078 CD2 LEU A 71 8.037 -7.793 3.840 1.00 2.26 C ATOM 0 H LEU A 71 8.000 -4.516 4.991 1.00 0.82 H new ATOM 0 HA LEU A 71 5.264 -4.786 5.880 1.00 0.80 H new ATOM 0 HB2 LEU A 71 5.525 -7.070 5.336 1.00 0.97 H new ATOM 0 HB3 LEU A 71 6.230 -6.097 4.061 1.00 0.97 H new ATOM 0 HG LEU A 71 8.445 -6.531 5.562 1.00 1.64 H new ATOM 0 HD11 LEU A 71 8.480 -8.915 6.263 1.00 2.83 H new ATOM 0 HD12 LEU A 71 7.289 -7.976 7.194 1.00 2.83 H new ATOM 0 HD13 LEU A 71 6.747 -9.046 5.880 1.00 2.83 H new ATOM 0 HD21 LEU A 71 8.964 -8.360 3.922 1.00 2.26 H new ATOM 0 HD22 LEU A 71 7.238 -8.451 3.498 1.00 2.26 H new ATOM 0 HD23 LEU A 71 8.170 -6.982 3.124 1.00 2.26 H new