USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=19 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 36 SER OG : rot 180:sc= -0.179 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -139:sc= 1.16 (180deg=1.26) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.125 X(o=1.1,f=1.1) USER MOD Set 2.2: A 61 THR OG1 : rot 73:sc= 1.22 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0.251 USER MOD Set 3.2: A 17 SER OG : rot 109:sc= 0.605 USER MOD Set 3.3: A 18 CYS SG : rot -150:sc= -0.112 USER MOD Single : A 13 MET CE :methyl -170:sc= -0.894 (180deg=-1.71) USER MOD Single : A 14 THR OG1 : rot -22:sc= 0.299 USER MOD Single : A 20 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=-0.017) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 170:sc= 0 USER MOD Single : A 27 THR OG1 : rot -80:sc= 0.957 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.462 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.223 X(o=0.22,f=-0.071) USER MOD Single : A 45 HIS : no HE2:sc= 0.0777 K(o=0.078,f=-7.2!) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0672) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 64 SER OG : rot -22:sc= 0.358 USER MOD Single : A 70 SER OG : rot 20:sc= 0.879 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -4.183 -11.992 -1.582 1.00 0.93 N ATOM 40 CA GLY A 4 -2.805 -11.587 -1.378 1.00 1.26 C ATOM 41 C GLY A 4 -2.764 -10.398 -0.424 1.00 1.25 C ATOM 42 O GLY A 4 -2.631 -9.256 -0.857 1.00 1.89 O ATOM 0 HA2 GLY A 4 -2.227 -12.416 -0.969 1.00 1.26 H new ATOM 0 HA3 GLY A 4 -2.348 -11.319 -2.331 1.00 1.26 H new ATOM 46 N VAL A 5 -2.879 -10.663 0.878 1.00 0.91 N ATOM 47 CA VAL A 5 -2.858 -9.623 1.897 1.00 0.89 C ATOM 48 C VAL A 5 -1.411 -9.174 2.066 1.00 0.99 C ATOM 49 O VAL A 5 -0.518 -10.006 2.216 1.00 1.45 O ATOM 50 CB VAL A 5 -3.365 -10.174 3.246 1.00 1.19 C ATOM 51 CG1 VAL A 5 -3.149 -9.169 4.386 1.00 2.45 C ATOM 52 CG2 VAL A 5 -4.839 -10.575 3.226 1.00 1.95 C ATOM 0 H VAL A 5 -2.989 -11.606 1.252 1.00 0.91 H new ATOM 0 HA VAL A 5 -3.502 -8.798 1.594 1.00 0.89 H new ATOM 0 HB VAL A 5 -2.771 -11.072 3.419 1.00 1.19 H new ATOM 0 HG11 VAL A 5 -3.519 -9.593 5.320 1.00 2.45 H new ATOM 0 HG12 VAL A 5 -2.085 -8.951 4.482 1.00 2.45 H new ATOM 0 HG13 VAL A 5 -3.689 -8.248 4.167 1.00 2.45 H new ATOM 0 HG21 VAL A 5 -5.126 -10.953 4.207 1.00 1.95 H new ATOM 0 HG22 VAL A 5 -5.449 -9.706 2.979 1.00 1.95 H new ATOM 0 HG23 VAL A 5 -4.995 -11.352 2.478 1.00 1.95 H new ATOM 62 N LEU A 6 -1.186 -7.860 2.104 1.00 0.87 N ATOM 63 CA LEU A 6 0.044 -7.290 2.621 1.00 0.97 C ATOM 64 C LEU A 6 -0.342 -6.106 3.500 1.00 0.83 C ATOM 65 O LEU A 6 -1.010 -5.192 3.019 1.00 0.90 O ATOM 66 CB LEU A 6 0.973 -6.885 1.466 1.00 1.16 C ATOM 67 CG LEU A 6 2.449 -7.146 1.807 1.00 1.42 C ATOM 68 CD1 LEU A 6 2.782 -8.637 1.639 1.00 2.27 C ATOM 69 CD2 LEU A 6 3.358 -6.326 0.885 1.00 2.29 C ATOM 0 H LEU A 6 -1.857 -7.166 1.775 1.00 0.87 H new ATOM 0 HA LEU A 6 0.600 -8.015 3.216 1.00 0.97 H new ATOM 0 HB2 LEU A 6 0.703 -7.442 0.569 1.00 1.16 H new ATOM 0 HB3 LEU A 6 0.833 -5.828 1.240 1.00 1.16 H new ATOM 0 HG LEU A 6 2.616 -6.851 2.843 1.00 1.42 H new ATOM 0 HD11 LEU A 6 3.831 -8.805 1.884 1.00 2.27 H new ATOM 0 HD12 LEU A 6 2.154 -9.227 2.306 1.00 2.27 H new ATOM 0 HD13 LEU A 6 2.598 -8.937 0.607 1.00 2.27 H new ATOM 0 HD21 LEU A 6 4.401 -6.519 1.136 1.00 2.29 H new ATOM 0 HD22 LEU A 6 3.176 -6.610 -0.152 1.00 2.29 H new ATOM 0 HD23 LEU A 6 3.145 -5.265 1.014 1.00 2.29 H new ATOM 81 N GLU A 7 0.047 -6.154 4.778 1.00 0.90 N ATOM 82 CA GLU A 7 -0.195 -5.114 5.768 1.00 0.79 C ATOM 83 C GLU A 7 1.127 -4.444 6.090 1.00 0.83 C ATOM 84 O GLU A 7 1.672 -4.631 7.175 1.00 1.55 O ATOM 85 CB GLU A 7 -0.823 -5.705 7.031 1.00 1.03 C ATOM 86 CG GLU A 7 -2.122 -6.402 6.659 1.00 1.86 C ATOM 87 CD GLU A 7 -2.925 -6.799 7.888 1.00 2.58 C ATOM 88 OE1 GLU A 7 -2.415 -7.642 8.656 1.00 3.58 O ATOM 89 OE2 GLU A 7 -4.037 -6.245 8.033 1.00 3.04 O ATOM 0 H GLU A 7 0.558 -6.950 5.160 1.00 0.90 H new ATOM 0 HA GLU A 7 -0.894 -4.379 5.369 1.00 0.79 H new ATOM 0 HB2 GLU A 7 -0.137 -6.412 7.497 1.00 1.03 H new ATOM 0 HB3 GLU A 7 -1.014 -4.918 7.760 1.00 1.03 H new ATOM 0 HG2 GLU A 7 -2.721 -5.742 6.032 1.00 1.86 H new ATOM 0 HG3 GLU A 7 -1.901 -7.290 6.067 1.00 1.86 H new ATOM 96 N LEU A 8 1.650 -3.675 5.139 1.00 0.69 N ATOM 97 CA LEU A 8 2.892 -2.967 5.377 1.00 0.69 C ATOM 98 C LEU A 8 2.616 -1.728 6.223 1.00 0.59 C ATOM 99 O LEU A 8 1.521 -1.162 6.168 1.00 0.63 O ATOM 100 CB LEU A 8 3.710 -2.735 4.087 1.00 0.93 C ATOM 101 CG LEU A 8 3.150 -1.927 2.900 1.00 0.96 C ATOM 102 CD1 LEU A 8 1.940 -2.563 2.214 1.00 1.75 C ATOM 103 CD2 LEU A 8 2.878 -0.459 3.234 1.00 2.79 C ATOM 0 H LEU A 8 1.239 -3.531 4.217 1.00 0.69 H new ATOM 0 HA LEU A 8 3.564 -3.593 5.964 1.00 0.69 H new ATOM 0 HB2 LEU A 8 4.639 -2.250 4.387 1.00 0.93 H new ATOM 0 HB3 LEU A 8 3.974 -3.719 3.701 1.00 0.93 H new ATOM 0 HG LEU A 8 3.963 -1.953 2.175 1.00 0.96 H new ATOM 0 HD11 LEU A 8 1.612 -1.927 1.391 1.00 1.75 H new ATOM 0 HD12 LEU A 8 2.215 -3.544 1.827 1.00 1.75 H new ATOM 0 HD13 LEU A 8 1.129 -2.671 2.934 1.00 1.75 H new ATOM 0 HD21 LEU A 8 2.486 0.048 2.352 1.00 2.79 H new ATOM 0 HD22 LEU A 8 2.149 -0.399 4.042 1.00 2.79 H new ATOM 0 HD23 LEU A 8 3.806 0.021 3.546 1.00 2.79 H new ATOM 115 N VAL A 9 3.604 -1.330 7.026 1.00 0.57 N ATOM 116 CA VAL A 9 3.635 -0.020 7.638 1.00 0.55 C ATOM 117 C VAL A 9 4.106 0.930 6.544 1.00 0.54 C ATOM 118 O VAL A 9 5.042 0.594 5.818 1.00 0.66 O ATOM 119 CB VAL A 9 4.544 -0.002 8.889 1.00 0.59 C ATOM 120 CG1 VAL A 9 5.436 1.243 9.001 1.00 0.64 C ATOM 121 CG2 VAL A 9 3.690 -0.079 10.160 1.00 0.63 C ATOM 0 H VAL A 9 4.404 -1.916 7.265 1.00 0.57 H new ATOM 0 HA VAL A 9 2.656 0.283 8.010 1.00 0.55 H new ATOM 0 HB VAL A 9 5.196 -0.868 8.781 1.00 0.59 H new ATOM 0 HG11 VAL A 9 6.041 1.177 9.905 1.00 0.64 H new ATOM 0 HG12 VAL A 9 6.089 1.302 8.130 1.00 0.64 H new ATOM 0 HG13 VAL A 9 4.811 2.135 9.047 1.00 0.64 H new ATOM 0 HG21 VAL A 9 4.339 -0.066 11.036 1.00 0.63 H new ATOM 0 HG22 VAL A 9 3.014 0.775 10.196 1.00 0.63 H new ATOM 0 HG23 VAL A 9 3.109 -1.001 10.153 1.00 0.63 H new ATOM 131 N VAL A 10 3.449 2.083 6.413 1.00 0.52 N ATOM 132 CA VAL A 10 3.736 3.107 5.432 1.00 0.52 C ATOM 133 C VAL A 10 3.936 4.428 6.173 1.00 0.55 C ATOM 134 O VAL A 10 3.134 4.790 7.044 1.00 0.84 O ATOM 135 CB VAL A 10 2.621 3.148 4.372 1.00 0.57 C ATOM 136 CG1 VAL A 10 1.230 2.983 4.990 1.00 2.36 C ATOM 137 CG2 VAL A 10 2.678 4.434 3.549 1.00 2.08 C ATOM 0 H VAL A 10 2.668 2.331 7.020 1.00 0.52 H new ATOM 0 HA VAL A 10 4.653 2.894 4.883 1.00 0.52 H new ATOM 0 HB VAL A 10 2.797 2.301 3.709 1.00 0.57 H new ATOM 0 HG11 VAL A 10 0.476 3.018 4.204 1.00 2.36 H new ATOM 0 HG12 VAL A 10 1.172 2.024 5.505 1.00 2.36 H new ATOM 0 HG13 VAL A 10 1.050 3.789 5.702 1.00 2.36 H new ATOM 0 HG21 VAL A 10 1.876 4.429 2.810 1.00 2.08 H new ATOM 0 HG22 VAL A 10 2.559 5.294 4.208 1.00 2.08 H new ATOM 0 HG23 VAL A 10 3.640 4.498 3.040 1.00 2.08 H new ATOM 147 N ARG A 11 5.019 5.134 5.839 1.00 0.62 N ATOM 148 CA ARG A 11 5.399 6.386 6.475 1.00 0.77 C ATOM 149 C ARG A 11 5.530 7.485 5.420 1.00 0.79 C ATOM 150 O ARG A 11 5.607 7.195 4.227 1.00 1.17 O ATOM 151 CB ARG A 11 6.711 6.224 7.252 1.00 0.96 C ATOM 152 CG ARG A 11 6.752 4.979 8.149 1.00 1.33 C ATOM 153 CD ARG A 11 7.788 5.148 9.271 1.00 1.82 C ATOM 154 NE ARG A 11 9.082 5.626 8.750 1.00 2.90 N ATOM 155 CZ ARG A 11 9.994 6.347 9.417 1.00 3.96 C ATOM 156 NH1 ARG A 11 9.907 6.454 10.748 1.00 4.25 N ATOM 157 NH2 ARG A 11 10.978 6.965 8.761 1.00 5.58 N ATOM 0 H ARG A 11 5.664 4.842 5.105 1.00 0.62 H new ATOM 0 HA ARG A 11 4.621 6.669 7.184 1.00 0.77 H new ATOM 0 HB2 ARG A 11 7.538 6.177 6.544 1.00 0.96 H new ATOM 0 HB3 ARG A 11 6.869 7.109 7.868 1.00 0.96 H new ATOM 0 HG2 ARG A 11 5.767 4.804 8.581 1.00 1.33 H new ATOM 0 HG3 ARG A 11 6.998 4.102 7.550 1.00 1.33 H new ATOM 0 HD2 ARG A 11 7.411 5.853 10.012 1.00 1.82 H new ATOM 0 HD3 ARG A 11 7.930 4.196 9.781 1.00 1.82 H new ATOM 0 HE ARG A 11 9.306 5.384 7.785 1.00 2.90 H new ATOM 0 HH11 ARG A 11 9.150 5.988 11.249 1.00 4.25 H new ATOM 0 HH12 ARG A 11 10.598 7.001 11.262 1.00 4.25 H new ATOM 0 HH21 ARG A 11 11.040 6.890 7.746 1.00 5.58 H new ATOM 0 HH22 ARG A 11 11.669 7.512 9.275 1.00 5.58 H new ATOM 171 N GLY A 12 5.533 8.744 5.869 1.00 0.81 N ATOM 172 CA GLY A 12 5.606 9.916 5.007 1.00 0.85 C ATOM 173 C GLY A 12 4.220 10.502 4.723 1.00 0.86 C ATOM 174 O GLY A 12 4.117 11.640 4.272 1.00 1.23 O ATOM 0 H GLY A 12 5.484 8.976 6.861 1.00 0.81 H new ATOM 0 HA2 GLY A 12 6.232 10.675 5.478 1.00 0.85 H new ATOM 0 HA3 GLY A 12 6.086 9.646 4.066 1.00 0.85 H new ATOM 178 N MET A 13 3.151 9.743 4.996 1.00 0.85 N ATOM 179 CA MET A 13 1.783 10.201 4.805 1.00 0.91 C ATOM 180 C MET A 13 1.432 11.271 5.840 1.00 0.83 C ATOM 181 O MET A 13 0.761 10.992 6.831 1.00 1.14 O ATOM 182 CB MET A 13 0.808 9.022 4.887 1.00 1.20 C ATOM 183 CG MET A 13 1.029 8.003 3.767 1.00 1.07 C ATOM 184 SD MET A 13 -0.240 6.713 3.657 1.00 1.69 S ATOM 185 CE MET A 13 -0.254 6.107 5.351 1.00 1.25 C ATOM 0 H MET A 13 3.219 8.791 5.357 1.00 0.85 H new ATOM 0 HA MET A 13 1.698 10.644 3.813 1.00 0.91 H new ATOM 0 HB2 MET A 13 0.921 8.527 5.852 1.00 1.20 H new ATOM 0 HB3 MET A 13 -0.215 9.396 4.838 1.00 1.20 H new ATOM 0 HG2 MET A 13 1.073 8.533 2.815 1.00 1.07 H new ATOM 0 HG3 MET A 13 1.999 7.528 3.912 1.00 1.07 H new ATOM 0 HE1 MET A 13 -0.851 5.197 5.407 1.00 1.25 H new ATOM 0 HE2 MET A 13 0.766 5.892 5.669 1.00 1.25 H new ATOM 0 HE3 MET A 13 -0.686 6.865 6.005 1.00 1.25 H new ATOM 195 N THR A 14 1.904 12.497 5.624 1.00 0.75 N ATOM 196 CA THR A 14 1.769 13.570 6.595 1.00 0.82 C ATOM 197 C THR A 14 0.328 14.077 6.745 1.00 0.81 C ATOM 198 O THR A 14 0.065 14.793 7.712 1.00 1.11 O ATOM 199 CB THR A 14 2.766 14.701 6.290 1.00 0.95 C ATOM 200 OG1 THR A 14 2.734 15.663 7.327 1.00 1.59 O ATOM 201 CG2 THR A 14 2.503 15.387 4.948 1.00 1.18 C ATOM 0 H THR A 14 2.390 12.770 4.770 1.00 0.75 H new ATOM 0 HA THR A 14 2.020 13.154 7.571 1.00 0.82 H new ATOM 0 HB THR A 14 3.752 14.241 6.227 1.00 0.95 H new ATOM 0 HG1 THR A 14 1.880 15.602 7.803 1.00 1.59 H new ATOM 0 HG21 THR A 14 3.240 16.175 4.792 1.00 1.18 H new ATOM 0 HG22 THR A 14 2.579 14.655 4.144 1.00 1.18 H new ATOM 0 HG23 THR A 14 1.503 15.821 4.951 1.00 1.18 H new ATOM 209 N CYS A 15 -0.587 13.753 5.824 1.00 0.61 N ATOM 210 CA CYS A 15 -1.987 14.142 5.919 1.00 0.58 C ATOM 211 C CYS A 15 -2.829 13.263 4.996 1.00 0.48 C ATOM 212 O CYS A 15 -2.294 12.514 4.176 1.00 0.43 O ATOM 213 CB CYS A 15 -2.148 15.638 5.607 1.00 0.74 C ATOM 214 SG CYS A 15 -1.330 16.225 4.100 1.00 0.72 S ATOM 0 H CYS A 15 -0.369 13.210 4.989 1.00 0.61 H new ATOM 0 HA CYS A 15 -2.344 13.989 6.938 1.00 0.58 H new ATOM 0 HB2 CYS A 15 -3.212 15.861 5.530 1.00 0.74 H new ATOM 0 HB3 CYS A 15 -1.763 16.209 6.452 1.00 0.74 H new ATOM 0 HG CYS A 15 -1.547 17.499 3.956 1.00 0.72 H new ATOM 219 N ALA A 16 -4.157 13.360 5.128 1.00 0.59 N ATOM 220 CA ALA A 16 -5.121 12.619 4.320 1.00 0.70 C ATOM 221 C ALA A 16 -4.821 12.749 2.825 1.00 0.61 C ATOM 222 O ALA A 16 -4.982 11.790 2.071 1.00 0.61 O ATOM 223 CB ALA A 16 -6.536 13.115 4.629 1.00 1.01 C ATOM 0 H ALA A 16 -4.597 13.971 5.816 1.00 0.59 H new ATOM 0 HA ALA A 16 -5.043 11.562 4.576 1.00 0.70 H new ATOM 0 HB1 ALA A 16 -7.255 12.562 4.026 1.00 1.01 H new ATOM 0 HB2 ALA A 16 -6.753 12.960 5.686 1.00 1.01 H new ATOM 0 HB3 ALA A 16 -6.608 14.177 4.396 1.00 1.01 H new ATOM 229 N SER A 17 -4.367 13.937 2.415 1.00 0.61 N ATOM 230 CA SER A 17 -3.896 14.264 1.082 1.00 0.58 C ATOM 231 C SER A 17 -2.912 13.221 0.544 1.00 0.54 C ATOM 232 O SER A 17 -2.934 12.906 -0.642 1.00 0.68 O ATOM 233 CB SER A 17 -3.235 15.642 1.156 1.00 0.76 C ATOM 234 OG SER A 17 -3.955 16.455 2.069 1.00 1.87 O ATOM 0 H SER A 17 -4.319 14.736 3.047 1.00 0.61 H new ATOM 0 HA SER A 17 -4.738 14.271 0.390 1.00 0.58 H new ATOM 0 HB2 SER A 17 -2.198 15.545 1.477 1.00 0.76 H new ATOM 0 HB3 SER A 17 -3.221 16.106 0.170 1.00 0.76 H new ATOM 0 HG SER A 17 -3.421 16.589 2.880 1.00 1.87 H new ATOM 240 N CYS A 18 -2.030 12.699 1.399 1.00 0.47 N ATOM 241 CA CYS A 18 -1.158 11.596 1.042 1.00 0.43 C ATOM 242 C CYS A 18 -1.964 10.306 0.927 1.00 0.43 C ATOM 243 O CYS A 18 -1.917 9.620 -0.092 1.00 0.49 O ATOM 244 CB CYS A 18 -0.061 11.466 2.096 1.00 0.50 C ATOM 245 SG CYS A 18 0.873 12.990 2.383 1.00 0.73 S ATOM 0 H CYS A 18 -1.906 13.034 2.355 1.00 0.47 H new ATOM 0 HA CYS A 18 -0.696 11.788 0.074 1.00 0.43 H new ATOM 0 HB2 CYS A 18 -0.511 11.146 3.036 1.00 0.50 H new ATOM 0 HB3 CYS A 18 0.631 10.681 1.790 1.00 0.50 H new ATOM 0 HG CYS A 18 2.086 12.694 2.746 1.00 0.73 H new ATOM 250 N VAL A 19 -2.693 9.971 1.993 1.00 0.46 N ATOM 251 CA VAL A 19 -3.422 8.716 2.125 1.00 0.55 C ATOM 252 C VAL A 19 -4.261 8.448 0.870 1.00 0.49 C ATOM 253 O VAL A 19 -4.062 7.443 0.184 1.00 0.51 O ATOM 254 CB VAL A 19 -4.273 8.734 3.412 1.00 0.71 C ATOM 255 CG1 VAL A 19 -5.051 7.429 3.605 1.00 0.98 C ATOM 256 CG2 VAL A 19 -3.398 8.938 4.656 1.00 0.75 C ATOM 0 H VAL A 19 -2.793 10.581 2.805 1.00 0.46 H new ATOM 0 HA VAL A 19 -2.715 7.891 2.214 1.00 0.55 H new ATOM 0 HB VAL A 19 -4.970 9.564 3.295 1.00 0.71 H new ATOM 0 HG11 VAL A 19 -5.636 7.486 4.523 1.00 0.98 H new ATOM 0 HG12 VAL A 19 -5.719 7.275 2.758 1.00 0.98 H new ATOM 0 HG13 VAL A 19 -4.352 6.595 3.672 1.00 0.98 H new ATOM 0 HG21 VAL A 19 -4.027 8.946 5.546 1.00 0.75 H new ATOM 0 HG22 VAL A 19 -2.675 8.125 4.730 1.00 0.75 H new ATOM 0 HG23 VAL A 19 -2.869 9.888 4.577 1.00 0.75 H new ATOM 266 N HIS A 20 -5.202 9.343 0.553 1.00 0.49 N ATOM 267 CA HIS A 20 -6.100 9.096 -0.570 1.00 0.53 C ATOM 268 C HIS A 20 -5.352 9.120 -1.908 1.00 0.47 C ATOM 269 O HIS A 20 -5.765 8.453 -2.855 1.00 0.50 O ATOM 270 CB HIS A 20 -7.336 10.009 -0.533 1.00 0.65 C ATOM 271 CG HIS A 20 -7.181 11.375 -1.153 1.00 0.62 C ATOM 272 ND1 HIS A 20 -8.098 11.996 -1.971 1.00 0.75 N ATOM 273 CD2 HIS A 20 -6.130 12.233 -0.991 1.00 0.67 C ATOM 274 CE1 HIS A 20 -7.599 13.202 -2.295 1.00 0.77 C ATOM 275 NE2 HIS A 20 -6.400 13.391 -1.724 1.00 0.80 N ATOM 0 H HIS A 20 -5.357 10.222 1.046 1.00 0.49 H new ATOM 0 HA HIS A 20 -6.489 8.083 -0.467 1.00 0.53 H new ATOM 0 HB2 HIS A 20 -8.155 9.496 -1.038 1.00 0.65 H new ATOM 0 HB3 HIS A 20 -7.634 10.138 0.507 1.00 0.65 H new ATOM 0 HD2 HIS A 20 -5.245 12.048 -0.400 1.00 0.67 H new ATOM 0 HE1 HIS A 20 -8.096 13.921 -2.929 1.00 0.77 H new ATOM 0 HE2 HIS A 20 -5.805 14.215 -1.808 1.00 0.80 H new ATOM 283 N LYS A 21 -4.239 9.860 -1.988 1.00 0.45 N ATOM 284 CA LYS A 21 -3.396 9.877 -3.171 1.00 0.48 C ATOM 285 C LYS A 21 -2.793 8.489 -3.370 1.00 0.44 C ATOM 286 O LYS A 21 -2.912 7.939 -4.463 1.00 0.51 O ATOM 287 CB LYS A 21 -2.342 10.985 -3.055 1.00 0.58 C ATOM 288 CG LYS A 21 -1.476 11.157 -4.307 1.00 0.76 C ATOM 289 CD LYS A 21 -0.459 12.278 -4.045 1.00 1.07 C ATOM 290 CE LYS A 21 0.270 12.682 -5.334 1.00 2.07 C ATOM 291 NZ LYS A 21 1.370 13.634 -5.070 1.00 2.96 N ATOM 0 H LYS A 21 -3.906 10.459 -1.233 1.00 0.45 H new ATOM 0 HA LYS A 21 -3.983 10.109 -4.059 1.00 0.48 H new ATOM 0 HB2 LYS A 21 -2.844 11.929 -2.841 1.00 0.58 H new ATOM 0 HB3 LYS A 21 -1.695 10.769 -2.205 1.00 0.58 H new ATOM 0 HG2 LYS A 21 -0.961 10.226 -4.542 1.00 0.76 H new ATOM 0 HG3 LYS A 21 -2.098 11.403 -5.167 1.00 0.76 H new ATOM 0 HD2 LYS A 21 -0.970 13.145 -3.627 1.00 1.07 H new ATOM 0 HD3 LYS A 21 0.267 11.947 -3.302 1.00 1.07 H new ATOM 0 HE2 LYS A 21 0.669 11.792 -5.820 1.00 2.07 H new ATOM 0 HE3 LYS A 21 -0.441 13.132 -6.027 1.00 2.07 H new ATOM 0 HZ1 LYS A 21 1.837 13.882 -5.966 1.00 2.96 H new ATOM 0 HZ2 LYS A 21 0.986 14.495 -4.630 1.00 2.96 H new ATOM 0 HZ3 LYS A 21 2.062 13.196 -4.429 1.00 2.96 H new ATOM 305 N ILE A 22 -2.177 7.903 -2.334 1.00 0.40 N ATOM 306 CA ILE A 22 -1.717 6.521 -2.414 1.00 0.45 C ATOM 307 C ILE A 22 -2.882 5.635 -2.852 1.00 0.43 C ATOM 308 O ILE A 22 -2.770 4.975 -3.876 1.00 0.46 O ATOM 309 CB ILE A 22 -1.077 6.007 -1.108 1.00 0.54 C ATOM 310 CG1 ILE A 22 0.147 6.857 -0.733 1.00 0.54 C ATOM 311 CG2 ILE A 22 -0.646 4.538 -1.285 1.00 0.75 C ATOM 312 CD1 ILE A 22 0.945 6.254 0.426 1.00 1.05 C ATOM 0 H ILE A 22 -1.990 8.363 -1.443 1.00 0.40 H new ATOM 0 HA ILE A 22 -0.918 6.480 -3.155 1.00 0.45 H new ATOM 0 HB ILE A 22 -1.814 6.081 -0.308 1.00 0.54 H new ATOM 0 HG12 ILE A 22 0.796 6.958 -1.603 1.00 0.54 H new ATOM 0 HG13 ILE A 22 -0.181 7.860 -0.461 1.00 0.54 H new ATOM 0 HG21 ILE A 22 -0.194 4.178 -0.361 1.00 0.75 H new ATOM 0 HG22 ILE A 22 -1.518 3.929 -1.524 1.00 0.75 H new ATOM 0 HG23 ILE A 22 0.079 4.467 -2.095 1.00 0.75 H new ATOM 0 HD11 ILE A 22 1.799 6.893 0.651 1.00 1.05 H new ATOM 0 HD12 ILE A 22 0.307 6.178 1.306 1.00 1.05 H new ATOM 0 HD13 ILE A 22 1.298 5.261 0.147 1.00 1.05 H new ATOM 324 N GLU A 23 -3.984 5.627 -2.096 1.00 0.43 N ATOM 325 CA GLU A 23 -5.123 4.744 -2.348 1.00 0.45 C ATOM 326 C GLU A 23 -5.549 4.804 -3.828 1.00 0.45 C ATOM 327 O GLU A 23 -5.512 3.802 -4.550 1.00 0.52 O ATOM 328 CB GLU A 23 -6.255 5.105 -1.366 1.00 0.56 C ATOM 329 CG GLU A 23 -7.199 3.937 -1.046 1.00 1.32 C ATOM 330 CD GLU A 23 -8.050 3.496 -2.230 1.00 2.77 C ATOM 331 OE1 GLU A 23 -8.332 4.364 -3.084 1.00 3.87 O ATOM 332 OE2 GLU A 23 -8.402 2.299 -2.252 1.00 3.60 O ATOM 0 H GLU A 23 -4.110 6.237 -1.288 1.00 0.43 H new ATOM 0 HA GLU A 23 -4.848 3.705 -2.169 1.00 0.45 H new ATOM 0 HB2 GLU A 23 -5.815 5.468 -0.437 1.00 0.56 H new ATOM 0 HB3 GLU A 23 -6.838 5.926 -1.785 1.00 0.56 H new ATOM 0 HG2 GLU A 23 -6.609 3.089 -0.698 1.00 1.32 H new ATOM 0 HG3 GLU A 23 -7.856 4.226 -0.226 1.00 1.32 H new ATOM 339 N SER A 24 -5.880 6.012 -4.289 1.00 0.44 N ATOM 340 CA SER A 24 -6.354 6.272 -5.641 1.00 0.50 C ATOM 341 C SER A 24 -5.289 5.903 -6.680 1.00 0.50 C ATOM 342 O SER A 24 -5.596 5.338 -7.731 1.00 0.62 O ATOM 343 CB SER A 24 -6.747 7.751 -5.735 1.00 0.57 C ATOM 344 OG SER A 24 -7.313 8.061 -6.995 1.00 0.81 O ATOM 0 H SER A 24 -5.823 6.853 -3.715 1.00 0.44 H new ATOM 0 HA SER A 24 -7.224 5.651 -5.857 1.00 0.50 H new ATOM 0 HB2 SER A 24 -7.461 7.989 -4.946 1.00 0.57 H new ATOM 0 HB3 SER A 24 -5.868 8.373 -5.568 1.00 0.57 H new ATOM 0 HG SER A 24 -7.554 9.011 -7.021 1.00 0.81 H new ATOM 350 N SER A 25 -4.024 6.228 -6.399 1.00 0.47 N ATOM 351 CA SER A 25 -2.939 5.995 -7.337 1.00 0.54 C ATOM 352 C SER A 25 -2.750 4.492 -7.495 1.00 0.61 C ATOM 353 O SER A 25 -2.612 3.986 -8.602 1.00 0.81 O ATOM 354 CB SER A 25 -1.660 6.681 -6.838 1.00 0.60 C ATOM 355 OG SER A 25 -0.620 6.554 -7.787 1.00 1.16 O ATOM 0 H SER A 25 -3.732 6.656 -5.521 1.00 0.47 H new ATOM 0 HA SER A 25 -3.176 6.422 -8.312 1.00 0.54 H new ATOM 0 HB2 SER A 25 -1.858 7.736 -6.648 1.00 0.60 H new ATOM 0 HB3 SER A 25 -1.350 6.239 -5.891 1.00 0.60 H new ATOM 0 HG SER A 25 0.131 7.129 -7.529 1.00 1.16 H new ATOM 361 N LEU A 26 -2.749 3.774 -6.374 1.00 0.57 N ATOM 362 CA LEU A 26 -2.486 2.353 -6.359 1.00 0.72 C ATOM 363 C LEU A 26 -3.623 1.554 -6.962 1.00 0.66 C ATOM 364 O LEU A 26 -3.363 0.693 -7.794 1.00 0.73 O ATOM 365 CB LEU A 26 -2.168 1.866 -4.944 1.00 0.93 C ATOM 366 CG LEU A 26 -0.664 1.689 -4.719 1.00 1.31 C ATOM 367 CD1 LEU A 26 -0.047 0.642 -5.658 1.00 2.83 C ATOM 368 CD2 LEU A 26 0.067 3.028 -4.862 1.00 2.85 C ATOM 0 H LEU A 26 -2.932 4.171 -5.452 1.00 0.57 H new ATOM 0 HA LEU A 26 -1.609 2.187 -6.984 1.00 0.72 H new ATOM 0 HB2 LEU A 26 -2.561 2.579 -4.219 1.00 0.93 H new ATOM 0 HB3 LEU A 26 -2.675 0.918 -4.765 1.00 0.93 H new ATOM 0 HG LEU A 26 -0.540 1.321 -3.701 1.00 1.31 H new ATOM 0 HD11 LEU A 26 1.021 0.556 -5.456 1.00 2.83 H new ATOM 0 HD12 LEU A 26 -0.526 -0.323 -5.492 1.00 2.83 H new ATOM 0 HD13 LEU A 26 -0.197 0.948 -6.693 1.00 2.83 H new ATOM 0 HD21 LEU A 26 1.134 2.879 -4.698 1.00 2.85 H new ATOM 0 HD22 LEU A 26 -0.094 3.425 -5.864 1.00 2.85 H new ATOM 0 HD23 LEU A 26 -0.318 3.733 -4.126 1.00 2.85 H new ATOM 380 N THR A 27 -4.869 1.797 -6.553 1.00 0.64 N ATOM 381 CA THR A 27 -5.992 0.999 -7.034 1.00 0.79 C ATOM 382 C THR A 27 -6.082 0.969 -8.566 1.00 0.83 C ATOM 383 O THR A 27 -6.603 0.016 -9.142 1.00 1.42 O ATOM 384 CB THR A 27 -7.296 1.490 -6.412 1.00 0.91 C ATOM 385 OG1 THR A 27 -7.355 2.903 -6.432 1.00 1.72 O ATOM 386 CG2 THR A 27 -7.455 0.990 -4.975 1.00 1.94 C ATOM 0 H THR A 27 -5.123 2.534 -5.895 1.00 0.64 H new ATOM 0 HA THR A 27 -5.818 -0.030 -6.718 1.00 0.79 H new ATOM 0 HB THR A 27 -8.114 1.086 -7.009 1.00 0.91 H new ATOM 0 HG1 THR A 27 -6.831 3.263 -5.686 1.00 1.72 H new ATOM 0 HG21 THR A 27 -8.394 1.359 -4.563 1.00 1.94 H new ATOM 0 HG22 THR A 27 -7.458 -0.100 -4.967 1.00 1.94 H new ATOM 0 HG23 THR A 27 -6.625 1.354 -4.369 1.00 1.94 H new ATOM 394 N LYS A 28 -5.548 1.997 -9.228 1.00 0.64 N ATOM 395 CA LYS A 28 -5.316 2.032 -10.663 1.00 0.64 C ATOM 396 C LYS A 28 -4.675 0.735 -11.192 1.00 0.63 C ATOM 397 O LYS A 28 -5.050 0.248 -12.258 1.00 0.82 O ATOM 398 CB LYS A 28 -4.392 3.227 -10.932 1.00 0.79 C ATOM 399 CG LYS A 28 -4.240 3.603 -12.403 1.00 2.03 C ATOM 400 CD LYS A 28 -5.149 4.769 -12.820 1.00 2.79 C ATOM 401 CE LYS A 28 -6.636 4.474 -12.568 1.00 4.65 C ATOM 402 NZ LYS A 28 -7.510 5.572 -13.030 1.00 6.19 N ATOM 0 H LYS A 28 -5.257 2.855 -8.759 1.00 0.64 H new ATOM 0 HA LYS A 28 -6.269 2.129 -11.183 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -4.773 4.092 -10.388 1.00 0.79 H new ATOM 0 HB3 LYS A 28 -3.406 3.004 -10.525 1.00 0.79 H new ATOM 0 HG2 LYS A 28 -3.202 3.871 -12.599 1.00 2.03 H new ATOM 0 HG3 LYS A 28 -4.467 2.734 -13.020 1.00 2.03 H new ATOM 0 HD2 LYS A 28 -4.861 5.665 -12.270 1.00 2.79 H new ATOM 0 HD3 LYS A 28 -4.998 4.983 -13.878 1.00 2.79 H new ATOM 0 HE2 LYS A 28 -6.913 3.552 -13.079 1.00 4.65 H new ATOM 0 HE3 LYS A 28 -6.796 4.308 -11.503 1.00 4.65 H new ATOM 0 HZ1 LYS A 28 -8.503 5.329 -12.840 1.00 6.19 H new ATOM 0 HZ2 LYS A 28 -7.265 6.447 -12.524 1.00 6.19 H new ATOM 0 HZ3 LYS A 28 -7.378 5.714 -14.052 1.00 6.19 H new ATOM 416 N HIS A 29 -3.667 0.218 -10.487 1.00 0.60 N ATOM 417 CA HIS A 29 -2.928 -0.974 -10.864 1.00 0.72 C ATOM 418 C HIS A 29 -3.874 -2.177 -10.822 1.00 0.89 C ATOM 419 O HIS A 29 -4.365 -2.551 -9.754 1.00 1.59 O ATOM 420 CB HIS A 29 -1.745 -1.197 -9.910 1.00 0.79 C ATOM 421 CG HIS A 29 -0.630 -0.177 -9.960 1.00 0.97 C ATOM 422 ND1 HIS A 29 0.718 -0.468 -10.009 1.00 1.67 N ATOM 423 CD2 HIS A 29 -0.743 1.178 -9.778 1.00 1.45 C ATOM 424 CE1 HIS A 29 1.392 0.689 -9.886 1.00 1.65 C ATOM 425 NE2 HIS A 29 0.545 1.720 -9.750 1.00 1.48 N ATOM 0 H HIS A 29 -3.338 0.633 -9.615 1.00 0.60 H new ATOM 0 HA HIS A 29 -2.532 -0.852 -11.872 1.00 0.72 H new ATOM 0 HB2 HIS A 29 -2.131 -1.229 -8.891 1.00 0.79 H new ATOM 0 HB3 HIS A 29 -1.319 -2.178 -10.120 1.00 0.79 H new ATOM 0 HD2 HIS A 29 -1.666 1.729 -9.674 1.00 1.45 H new ATOM 0 HE1 HIS A 29 2.468 0.776 -9.895 1.00 1.65 H new ATOM 0 HE2 HIS A 29 0.792 2.704 -9.647 1.00 1.48 H new ATOM 433 N ARG A 30 -4.094 -2.825 -11.971 1.00 1.10 N ATOM 434 CA ARG A 30 -5.124 -3.846 -12.163 1.00 1.18 C ATOM 435 C ARG A 30 -4.767 -5.202 -11.523 1.00 1.22 C ATOM 436 O ARG A 30 -5.110 -6.248 -12.065 1.00 2.38 O ATOM 437 CB ARG A 30 -5.394 -3.971 -13.674 1.00 1.50 C ATOM 438 CG ARG A 30 -6.767 -4.577 -14.005 1.00 2.01 C ATOM 439 CD ARG A 30 -6.859 -4.868 -15.507 1.00 2.96 C ATOM 440 NE ARG A 30 -8.121 -5.549 -15.836 1.00 4.04 N ATOM 441 CZ ARG A 30 -8.426 -6.057 -17.041 1.00 5.33 C ATOM 442 NH1 ARG A 30 -7.569 -5.912 -18.058 1.00 5.96 N ATOM 443 NH2 ARG A 30 -9.582 -6.706 -17.223 1.00 6.54 N ATOM 0 H ARG A 30 -3.546 -2.648 -12.813 1.00 1.10 H new ATOM 0 HA ARG A 30 -6.030 -3.533 -11.645 1.00 1.18 H new ATOM 0 HB2 ARG A 30 -5.322 -2.984 -14.130 1.00 1.50 H new ATOM 0 HB3 ARG A 30 -4.616 -4.588 -14.124 1.00 1.50 H new ATOM 0 HG2 ARG A 30 -6.915 -5.496 -13.438 1.00 2.01 H new ATOM 0 HG3 ARG A 30 -7.559 -3.889 -13.710 1.00 2.01 H new ATOM 0 HD2 ARG A 30 -6.788 -3.935 -16.067 1.00 2.96 H new ATOM 0 HD3 ARG A 30 -6.016 -5.488 -15.813 1.00 2.96 H new ATOM 0 HE ARG A 30 -8.815 -5.642 -15.094 1.00 4.04 H new ATOM 0 HH11 ARG A 30 -6.688 -5.417 -17.916 1.00 5.96 H new ATOM 0 HH12 ARG A 30 -7.796 -6.296 -18.975 1.00 5.96 H new ATOM 0 HH21 ARG A 30 -10.233 -6.815 -16.446 1.00 6.54 H new ATOM 0 HH22 ARG A 30 -9.812 -7.091 -18.139 1.00 6.54 H new ATOM 457 N GLY A 31 -4.103 -5.186 -10.365 1.00 0.72 N ATOM 458 CA GLY A 31 -3.891 -6.336 -9.499 1.00 0.69 C ATOM 459 C GLY A 31 -4.215 -6.007 -8.039 1.00 0.69 C ATOM 460 O GLY A 31 -4.183 -6.901 -7.195 1.00 0.96 O ATOM 0 H GLY A 31 -3.683 -4.333 -9.995 1.00 0.72 H new ATOM 0 HA2 GLY A 31 -4.515 -7.165 -9.833 1.00 0.69 H new ATOM 0 HA3 GLY A 31 -2.855 -6.666 -9.577 1.00 0.69 H new ATOM 464 N ILE A 32 -4.519 -4.737 -7.723 1.00 0.74 N ATOM 465 CA ILE A 32 -4.902 -4.311 -6.387 1.00 0.79 C ATOM 466 C ILE A 32 -6.400 -4.582 -6.243 1.00 0.77 C ATOM 467 O ILE A 32 -7.216 -3.919 -6.876 1.00 1.20 O ATOM 468 CB ILE A 32 -4.567 -2.818 -6.188 1.00 1.00 C ATOM 469 CG1 ILE A 32 -3.118 -2.468 -6.556 1.00 2.06 C ATOM 470 CG2 ILE A 32 -4.840 -2.382 -4.743 1.00 2.33 C ATOM 471 CD1 ILE A 32 -2.098 -2.919 -5.521 1.00 3.98 C ATOM 0 H ILE A 32 -4.502 -3.977 -8.403 1.00 0.74 H new ATOM 0 HA ILE A 32 -4.353 -4.858 -5.621 1.00 0.79 H new ATOM 0 HB ILE A 32 -5.221 -2.276 -6.871 1.00 1.00 H new ATOM 0 HG12 ILE A 32 -2.876 -2.925 -7.515 1.00 2.06 H new ATOM 0 HG13 ILE A 32 -3.036 -1.389 -6.687 1.00 2.06 H new ATOM 0 HG21 ILE A 32 -4.596 -1.326 -4.629 1.00 2.33 H new ATOM 0 HG22 ILE A 32 -5.893 -2.538 -4.509 1.00 2.33 H new ATOM 0 HG23 ILE A 32 -4.226 -2.972 -4.063 1.00 2.33 H new ATOM 0 HD11 ILE A 32 -1.098 -2.637 -5.849 1.00 3.98 H new ATOM 0 HD12 ILE A 32 -2.314 -2.442 -4.565 1.00 3.98 H new ATOM 0 HD13 ILE A 32 -2.151 -4.002 -5.406 1.00 3.98 H new ATOM 483 N LEU A 33 -6.761 -5.571 -5.427 1.00 0.54 N ATOM 484 CA LEU A 33 -8.142 -5.963 -5.192 1.00 0.61 C ATOM 485 C LEU A 33 -8.783 -4.999 -4.193 1.00 0.64 C ATOM 486 O LEU A 33 -9.949 -4.640 -4.341 1.00 0.79 O ATOM 487 CB LEU A 33 -8.201 -7.409 -4.676 1.00 0.70 C ATOM 488 CG LEU A 33 -7.430 -8.415 -5.547 1.00 1.10 C ATOM 489 CD1 LEU A 33 -7.472 -9.799 -4.888 1.00 1.93 C ATOM 490 CD2 LEU A 33 -7.999 -8.502 -6.968 1.00 1.50 C ATOM 0 H LEU A 33 -6.087 -6.130 -4.903 1.00 0.54 H new ATOM 0 HA LEU A 33 -8.698 -5.916 -6.128 1.00 0.61 H new ATOM 0 HB2 LEU A 33 -7.800 -7.439 -3.663 1.00 0.70 H new ATOM 0 HB3 LEU A 33 -9.244 -7.720 -4.616 1.00 0.70 H new ATOM 0 HG LEU A 33 -6.400 -8.066 -5.626 1.00 1.10 H new ATOM 0 HD11 LEU A 33 -6.926 -10.512 -5.505 1.00 1.93 H new ATOM 0 HD12 LEU A 33 -7.012 -9.746 -3.901 1.00 1.93 H new ATOM 0 HD13 LEU A 33 -8.508 -10.124 -4.789 1.00 1.93 H new ATOM 0 HD21 LEU A 33 -7.423 -9.224 -7.547 1.00 1.50 H new ATOM 0 HD22 LEU A 33 -9.041 -8.820 -6.924 1.00 1.50 H new ATOM 0 HD23 LEU A 33 -7.938 -7.524 -7.445 1.00 1.50 H new ATOM 502 N TYR A 34 -8.026 -4.578 -3.173 1.00 0.56 N ATOM 503 CA TYR A 34 -8.463 -3.568 -2.218 1.00 0.59 C ATOM 504 C TYR A 34 -7.235 -2.882 -1.632 1.00 0.53 C ATOM 505 O TYR A 34 -6.154 -3.469 -1.628 1.00 0.47 O ATOM 506 CB TYR A 34 -9.281 -4.214 -1.090 1.00 0.65 C ATOM 507 CG TYR A 34 -9.889 -3.246 -0.093 1.00 0.70 C ATOM 508 CD1 TYR A 34 -10.656 -2.152 -0.535 1.00 1.56 C ATOM 509 CD2 TYR A 34 -9.635 -3.410 1.282 1.00 1.88 C ATOM 510 CE1 TYR A 34 -11.071 -1.169 0.380 1.00 1.61 C ATOM 511 CE2 TYR A 34 -10.113 -2.463 2.203 1.00 1.93 C ATOM 512 CZ TYR A 34 -10.775 -1.312 1.745 1.00 0.94 C ATOM 513 OH TYR A 34 -11.124 -0.341 2.635 1.00 1.15 O ATOM 0 H TYR A 34 -7.088 -4.934 -2.991 1.00 0.56 H new ATOM 0 HA TYR A 34 -9.093 -2.839 -2.727 1.00 0.59 H new ATOM 0 HB2 TYR A 34 -10.083 -4.802 -1.536 1.00 0.65 H new ATOM 0 HB3 TYR A 34 -8.638 -4.910 -0.550 1.00 0.65 H new ATOM 0 HD1 TYR A 34 -10.926 -2.068 -1.577 1.00 1.56 H new ATOM 0 HD2 TYR A 34 -9.072 -4.264 1.629 1.00 1.88 H new ATOM 0 HE1 TYR A 34 -11.617 -0.304 0.033 1.00 1.61 H new ATOM 0 HE2 TYR A 34 -9.972 -2.620 3.262 1.00 1.93 H new ATOM 0 HH TYR A 34 -10.843 -0.606 3.536 1.00 1.15 H new ATOM 523 N CYS A 35 -7.417 -1.671 -1.104 1.00 0.61 N ATOM 524 CA CYS A 35 -6.408 -0.947 -0.357 1.00 0.60 C ATOM 525 C CYS A 35 -7.081 -0.266 0.833 1.00 0.67 C ATOM 526 O CYS A 35 -8.158 0.305 0.689 1.00 1.04 O ATOM 527 CB CYS A 35 -5.732 0.081 -1.262 1.00 0.66 C ATOM 528 SG CYS A 35 -4.523 0.986 -0.273 1.00 2.32 S ATOM 0 H CYS A 35 -8.296 -1.160 -1.191 1.00 0.61 H new ATOM 0 HA CYS A 35 -5.641 -1.631 0.006 1.00 0.60 H new ATOM 0 HB2 CYS A 35 -5.244 -0.413 -2.102 1.00 0.66 H new ATOM 0 HB3 CYS A 35 -6.471 0.765 -1.680 1.00 0.66 H new ATOM 0 HG CYS A 35 -3.927 1.870 -1.018 1.00 2.32 H new ATOM 534 N SER A 36 -6.475 -0.358 2.017 1.00 0.56 N ATOM 535 CA SER A 36 -6.854 0.407 3.191 1.00 0.67 C ATOM 536 C SER A 36 -5.581 0.956 3.829 1.00 0.59 C ATOM 537 O SER A 36 -5.037 0.351 4.760 1.00 0.74 O ATOM 538 CB SER A 36 -7.681 -0.456 4.153 1.00 0.89 C ATOM 539 OG SER A 36 -7.988 0.240 5.352 1.00 1.67 O ATOM 0 H SER A 36 -5.688 -0.984 2.184 1.00 0.56 H new ATOM 0 HA SER A 36 -7.494 1.246 2.919 1.00 0.67 H new ATOM 0 HB2 SER A 36 -8.605 -0.763 3.663 1.00 0.89 H new ATOM 0 HB3 SER A 36 -7.130 -1.366 4.391 1.00 0.89 H new ATOM 0 HG SER A 36 -8.516 -0.339 5.940 1.00 1.67 H new ATOM 545 N VAL A 37 -5.138 2.110 3.326 1.00 0.70 N ATOM 546 CA VAL A 37 -4.075 2.924 3.900 1.00 0.65 C ATOM 547 C VAL A 37 -4.613 3.734 5.080 1.00 0.66 C ATOM 548 O VAL A 37 -5.785 4.109 5.091 1.00 0.78 O ATOM 549 CB VAL A 37 -3.467 3.865 2.842 1.00 0.73 C ATOM 550 CG1 VAL A 37 -2.407 3.167 1.990 1.00 1.66 C ATOM 551 CG2 VAL A 37 -4.530 4.464 1.919 1.00 1.93 C ATOM 0 H VAL A 37 -5.528 2.515 2.475 1.00 0.70 H new ATOM 0 HA VAL A 37 -3.288 2.258 4.254 1.00 0.65 H new ATOM 0 HB VAL A 37 -2.996 4.670 3.406 1.00 0.73 H new ATOM 0 HG11 VAL A 37 -2.007 3.870 1.259 1.00 1.66 H new ATOM 0 HG12 VAL A 37 -1.600 2.813 2.631 1.00 1.66 H new ATOM 0 HG13 VAL A 37 -2.857 2.320 1.471 1.00 1.66 H new ATOM 0 HG21 VAL A 37 -4.052 5.120 1.191 1.00 1.93 H new ATOM 0 HG22 VAL A 37 -5.052 3.662 1.397 1.00 1.93 H new ATOM 0 HG23 VAL A 37 -5.244 5.037 2.510 1.00 1.93 H new ATOM 561 N ALA A 38 -3.760 4.024 6.065 1.00 0.64 N ATOM 562 CA ALA A 38 -4.044 5.014 7.095 1.00 0.74 C ATOM 563 C ALA A 38 -2.742 5.553 7.662 1.00 0.77 C ATOM 564 O ALA A 38 -1.889 4.761 8.059 1.00 0.76 O ATOM 565 CB ALA A 38 -4.833 4.395 8.246 1.00 0.76 C ATOM 0 H ALA A 38 -2.850 3.574 6.167 1.00 0.64 H new ATOM 0 HA ALA A 38 -4.629 5.811 6.636 1.00 0.74 H new ATOM 0 HB1 ALA A 38 -5.032 5.155 9.001 1.00 0.76 H new ATOM 0 HB2 ALA A 38 -5.777 4.002 7.870 1.00 0.76 H new ATOM 0 HB3 ALA A 38 -4.254 3.585 8.690 1.00 0.76 H new ATOM 571 N LEU A 39 -2.623 6.879 7.774 1.00 0.91 N ATOM 572 CA LEU A 39 -1.548 7.507 8.534 1.00 0.90 C ATOM 573 C LEU A 39 -1.765 7.254 10.023 1.00 0.82 C ATOM 574 O LEU A 39 -0.810 7.028 10.757 1.00 0.88 O ATOM 575 CB LEU A 39 -1.413 9.000 8.181 1.00 1.16 C ATOM 576 CG LEU A 39 -2.527 9.929 8.701 1.00 0.78 C ATOM 577 CD1 LEU A 39 -2.198 10.503 10.088 1.00 1.75 C ATOM 578 CD2 LEU A 39 -2.687 11.122 7.754 1.00 1.05 C ATOM 0 H LEU A 39 -3.267 7.541 7.342 1.00 0.91 H new ATOM 0 HA LEU A 39 -0.593 7.057 8.262 1.00 0.90 H new ATOM 0 HB2 LEU A 39 -0.460 9.358 8.570 1.00 1.16 H new ATOM 0 HB3 LEU A 39 -1.370 9.092 7.096 1.00 1.16 H new ATOM 0 HG LEU A 39 -3.435 9.329 8.759 1.00 0.78 H new ATOM 0 HD11 LEU A 39 -3.010 11.152 10.415 1.00 1.75 H new ATOM 0 HD12 LEU A 39 -2.076 9.687 10.800 1.00 1.75 H new ATOM 0 HD13 LEU A 39 -1.274 11.078 10.034 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -3.475 11.777 8.124 1.00 1.05 H new ATOM 0 HD22 LEU A 39 -1.749 11.675 7.704 1.00 1.05 H new ATOM 0 HD23 LEU A 39 -2.950 10.764 6.759 1.00 1.05 H new ATOM 590 N ALA A 40 -3.031 7.233 10.458 1.00 0.92 N ATOM 591 CA ALA A 40 -3.404 7.114 11.863 1.00 1.03 C ATOM 592 C ALA A 40 -2.777 5.882 12.515 1.00 0.94 C ATOM 593 O ALA A 40 -2.417 5.918 13.687 1.00 1.19 O ATOM 594 CB ALA A 40 -4.929 7.076 11.983 1.00 1.33 C ATOM 0 H ALA A 40 -3.833 7.299 9.831 1.00 0.92 H new ATOM 0 HA ALA A 40 -3.020 7.984 12.395 1.00 1.03 H new ATOM 0 HB1 ALA A 40 -5.209 6.987 13.033 1.00 1.33 H new ATOM 0 HB2 ALA A 40 -5.349 7.994 11.572 1.00 1.33 H new ATOM 0 HB3 ALA A 40 -5.316 6.220 11.430 1.00 1.33 H new ATOM 600 N THR A 41 -2.665 4.792 11.747 1.00 0.79 N ATOM 601 CA THR A 41 -2.021 3.555 12.179 1.00 0.78 C ATOM 602 C THR A 41 -0.825 3.234 11.276 1.00 0.80 C ATOM 603 O THR A 41 -0.348 2.105 11.258 1.00 1.32 O ATOM 604 CB THR A 41 -3.090 2.445 12.229 1.00 0.99 C ATOM 605 OG1 THR A 41 -4.230 2.914 12.922 1.00 2.12 O ATOM 606 CG2 THR A 41 -2.642 1.153 12.919 1.00 1.41 C ATOM 0 H THR A 41 -3.026 4.748 10.794 1.00 0.79 H new ATOM 0 HA THR A 41 -1.605 3.652 13.182 1.00 0.78 H new ATOM 0 HB THR A 41 -3.296 2.206 11.186 1.00 0.99 H new ATOM 0 HG1 THR A 41 -4.909 2.208 12.951 1.00 2.12 H new ATOM 0 HG21 THR A 41 -3.459 0.431 12.906 1.00 1.41 H new ATOM 0 HG22 THR A 41 -1.783 0.738 12.392 1.00 1.41 H new ATOM 0 HG23 THR A 41 -2.365 1.369 13.951 1.00 1.41 H new ATOM 614 N ASN A 42 -0.335 4.235 10.537 1.00 0.55 N ATOM 615 CA ASN A 42 0.741 4.138 9.558 1.00 0.62 C ATOM 616 C ASN A 42 0.768 2.813 8.818 1.00 0.67 C ATOM 617 O ASN A 42 1.826 2.210 8.700 1.00 0.90 O ATOM 618 CB ASN A 42 2.085 4.465 10.233 1.00 0.77 C ATOM 619 CG ASN A 42 2.226 5.968 10.318 1.00 0.83 C ATOM 620 OD1 ASN A 42 2.270 6.558 11.391 1.00 1.42 O ATOM 621 ND2 ASN A 42 2.234 6.590 9.147 1.00 1.86 N ATOM 0 H ASN A 42 -0.702 5.184 10.614 1.00 0.55 H new ATOM 0 HA ASN A 42 0.550 4.879 8.782 1.00 0.62 H new ATOM 0 HB2 ASN A 42 2.126 4.024 11.229 1.00 0.77 H new ATOM 0 HB3 ASN A 42 2.910 4.039 9.661 1.00 0.77 H new ATOM 0 HD21 ASN A 42 2.278 7.608 9.111 1.00 1.86 H new ATOM 0 HD22 ASN A 42 2.196 6.050 8.282 1.00 1.86 H new ATOM 628 N LYS A 43 -0.376 2.369 8.295 1.00 0.58 N ATOM 629 CA LYS A 43 -0.527 1.019 7.771 1.00 0.64 C ATOM 630 C LYS A 43 -1.112 1.073 6.376 1.00 0.57 C ATOM 631 O LYS A 43 -1.705 2.087 6.000 1.00 0.56 O ATOM 632 CB LYS A 43 -1.366 0.153 8.725 1.00 0.75 C ATOM 633 CG LYS A 43 -2.809 0.634 8.963 1.00 1.29 C ATOM 634 CD LYS A 43 -3.773 0.209 7.846 1.00 1.08 C ATOM 635 CE LYS A 43 -5.243 0.448 8.209 1.00 1.45 C ATOM 636 NZ LYS A 43 -6.126 -0.165 7.193 1.00 2.39 N ATOM 0 H LYS A 43 -1.220 2.937 8.225 1.00 0.58 H new ATOM 0 HA LYS A 43 0.453 0.546 7.702 1.00 0.64 H new ATOM 0 HB2 LYS A 43 -1.401 -0.862 8.330 1.00 0.75 H new ATOM 0 HB3 LYS A 43 -0.855 0.104 9.687 1.00 0.75 H new ATOM 0 HG2 LYS A 43 -3.166 0.239 9.914 1.00 1.29 H new ATOM 0 HG3 LYS A 43 -2.815 1.721 9.047 1.00 1.29 H new ATOM 0 HD2 LYS A 43 -3.534 0.760 6.936 1.00 1.08 H new ATOM 0 HD3 LYS A 43 -3.625 -0.848 7.627 1.00 1.08 H new ATOM 0 HE2 LYS A 43 -5.456 0.024 9.190 1.00 1.45 H new ATOM 0 HE3 LYS A 43 -5.440 1.518 8.274 1.00 1.45 H new ATOM 0 HZ1 LYS A 43 -6.921 0.475 6.992 1.00 2.39 H new ATOM 0 HZ2 LYS A 43 -5.587 -0.332 6.320 1.00 2.39 H new ATOM 0 HZ3 LYS A 43 -6.493 -1.070 7.552 1.00 2.39 H new ATOM 650 N ALA A 44 -0.982 -0.030 5.638 1.00 0.66 N ATOM 651 CA ALA A 44 -1.661 -0.234 4.377 1.00 0.59 C ATOM 652 C ALA A 44 -1.989 -1.707 4.234 1.00 0.59 C ATOM 653 O ALA A 44 -1.119 -2.496 3.889 1.00 0.69 O ATOM 654 CB ALA A 44 -0.821 0.284 3.211 1.00 0.61 C ATOM 0 H ALA A 44 -0.390 -0.814 5.912 1.00 0.66 H new ATOM 0 HA ALA A 44 -2.590 0.335 4.361 1.00 0.59 H new ATOM 0 HB1 ALA A 44 -1.355 0.118 2.276 1.00 0.61 H new ATOM 0 HB2 ALA A 44 -0.638 1.351 3.340 1.00 0.61 H new ATOM 0 HB3 ALA A 44 0.131 -0.247 3.184 1.00 0.61 H new ATOM 660 N HIS A 45 -3.245 -2.070 4.503 1.00 0.64 N ATOM 661 CA HIS A 45 -3.753 -3.377 4.135 1.00 0.65 C ATOM 662 C HIS A 45 -4.101 -3.280 2.662 1.00 0.55 C ATOM 663 O HIS A 45 -5.145 -2.732 2.316 1.00 0.64 O ATOM 664 CB HIS A 45 -4.933 -3.755 5.037 1.00 0.80 C ATOM 665 CG HIS A 45 -5.422 -5.167 4.834 1.00 0.87 C ATOM 666 ND1 HIS A 45 -5.472 -6.153 5.792 1.00 1.03 N ATOM 667 CD2 HIS A 45 -5.863 -5.713 3.661 1.00 0.89 C ATOM 668 CE1 HIS A 45 -5.950 -7.263 5.207 1.00 1.14 C ATOM 669 NE2 HIS A 45 -6.209 -7.044 3.907 1.00 1.07 N ATOM 0 H HIS A 45 -3.923 -1.471 4.975 1.00 0.64 H new ATOM 0 HA HIS A 45 -3.029 -4.179 4.279 1.00 0.65 H new ATOM 0 HB2 HIS A 45 -4.638 -3.628 6.079 1.00 0.80 H new ATOM 0 HB3 HIS A 45 -5.756 -3.065 4.852 1.00 0.80 H new ATOM 0 HD1 HIS A 45 -5.196 -6.058 6.769 1.00 1.03 H new ATOM 0 HD2 HIS A 45 -5.932 -5.205 2.711 1.00 0.89 H new ATOM 0 HE1 HIS A 45 -6.105 -8.204 5.713 1.00 1.14 H new ATOM 677 N ILE A 46 -3.218 -3.790 1.807 1.00 0.52 N ATOM 678 CA ILE A 46 -3.539 -4.053 0.423 1.00 0.50 C ATOM 679 C ILE A 46 -3.961 -5.514 0.366 1.00 0.53 C ATOM 680 O ILE A 46 -3.310 -6.380 0.949 1.00 0.80 O ATOM 681 CB ILE A 46 -2.364 -3.748 -0.525 1.00 0.57 C ATOM 682 CG1 ILE A 46 -2.196 -2.242 -0.794 1.00 1.39 C ATOM 683 CG2 ILE A 46 -2.632 -4.401 -1.889 1.00 1.44 C ATOM 684 CD1 ILE A 46 -1.793 -1.437 0.439 1.00 1.62 C ATOM 0 H ILE A 46 -2.260 -4.030 2.063 1.00 0.52 H new ATOM 0 HA ILE A 46 -4.339 -3.398 0.078 1.00 0.50 H new ATOM 0 HB ILE A 46 -1.467 -4.133 -0.040 1.00 0.57 H new ATOM 0 HG12 ILE A 46 -1.443 -2.103 -1.569 1.00 1.39 H new ATOM 0 HG13 ILE A 46 -3.133 -1.845 -1.185 1.00 1.39 H new ATOM 0 HG21 ILE A 46 -1.803 -4.188 -2.564 1.00 1.44 H new ATOM 0 HG22 ILE A 46 -2.730 -5.479 -1.763 1.00 1.44 H new ATOM 0 HG23 ILE A 46 -3.554 -4.000 -2.310 1.00 1.44 H new ATOM 0 HD11 ILE A 46 -1.694 -0.385 0.170 1.00 1.62 H new ATOM 0 HD12 ILE A 46 -2.557 -1.545 1.209 1.00 1.62 H new ATOM 0 HD13 ILE A 46 -0.840 -1.806 0.819 1.00 1.62 H new ATOM 696 N LYS A 47 -5.049 -5.763 -0.354 1.00 0.44 N ATOM 697 CA LYS A 47 -5.376 -7.056 -0.911 1.00 0.48 C ATOM 698 C LYS A 47 -4.965 -6.965 -2.376 1.00 0.46 C ATOM 699 O LYS A 47 -5.527 -6.139 -3.097 1.00 0.55 O ATOM 700 CB LYS A 47 -6.891 -7.239 -0.842 1.00 0.64 C ATOM 701 CG LYS A 47 -7.489 -7.417 0.552 1.00 0.66 C ATOM 702 CD LYS A 47 -7.204 -8.832 1.063 1.00 1.40 C ATOM 703 CE LYS A 47 -8.134 -9.228 2.219 1.00 1.61 C ATOM 704 NZ LYS A 47 -9.509 -9.493 1.751 1.00 2.19 N ATOM 0 H LYS A 47 -5.743 -5.046 -0.568 1.00 0.44 H new ATOM 0 HA LYS A 47 -4.887 -7.878 -0.388 1.00 0.48 H new ATOM 0 HB2 LYS A 47 -7.362 -6.373 -1.308 1.00 0.64 H new ATOM 0 HB3 LYS A 47 -7.158 -8.109 -1.442 1.00 0.64 H new ATOM 0 HG2 LYS A 47 -7.065 -6.682 1.236 1.00 0.66 H new ATOM 0 HG3 LYS A 47 -8.564 -7.241 0.521 1.00 0.66 H new ATOM 0 HD2 LYS A 47 -7.321 -9.543 0.245 1.00 1.40 H new ATOM 0 HD3 LYS A 47 -6.168 -8.895 1.394 1.00 1.40 H new ATOM 0 HE2 LYS A 47 -7.741 -10.116 2.714 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -8.150 -8.430 2.962 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -10.062 -9.918 2.522 1.00 2.19 H new ATOM 0 HZ2 LYS A 47 -9.954 -8.600 1.457 1.00 2.19 H new ATOM 0 HZ3 LYS A 47 -9.481 -10.148 0.944 1.00 2.19 H new ATOM 718 N TYR A 48 -4.004 -7.774 -2.818 1.00 0.65 N ATOM 719 CA TYR A 48 -3.641 -7.899 -4.220 1.00 0.64 C ATOM 720 C TYR A 48 -3.906 -9.322 -4.703 1.00 0.64 C ATOM 721 O TYR A 48 -4.122 -10.222 -3.886 1.00 0.86 O ATOM 722 CB TYR A 48 -2.181 -7.473 -4.436 1.00 0.82 C ATOM 723 CG TYR A 48 -1.122 -8.145 -3.573 1.00 0.73 C ATOM 724 CD1 TYR A 48 -0.803 -9.503 -3.748 1.00 1.68 C ATOM 725 CD2 TYR A 48 -0.317 -7.363 -2.724 1.00 1.71 C ATOM 726 CE1 TYR A 48 0.306 -10.066 -3.095 1.00 1.60 C ATOM 727 CE2 TYR A 48 0.864 -7.892 -2.178 1.00 1.95 C ATOM 728 CZ TYR A 48 1.170 -9.247 -2.354 1.00 1.04 C ATOM 729 OH TYR A 48 2.308 -9.765 -1.812 1.00 1.32 O ATOM 0 H TYR A 48 -3.450 -8.368 -2.200 1.00 0.65 H new ATOM 0 HA TYR A 48 -4.261 -7.230 -4.817 1.00 0.64 H new ATOM 0 HB2 TYR A 48 -1.928 -7.653 -5.481 1.00 0.82 H new ATOM 0 HB3 TYR A 48 -2.116 -6.397 -4.273 1.00 0.82 H new ATOM 0 HD1 TYR A 48 -1.416 -10.119 -4.390 1.00 1.68 H new ATOM 0 HD2 TYR A 48 -0.609 -6.350 -2.491 1.00 1.71 H new ATOM 0 HE1 TYR A 48 0.493 -11.128 -3.164 1.00 1.60 H new ATOM 0 HE2 TYR A 48 1.536 -7.254 -1.623 1.00 1.95 H new ATOM 0 HH TYR A 48 2.630 -10.503 -2.371 1.00 1.32 H new ATOM 739 N ASP A 49 -3.840 -9.531 -6.022 1.00 0.63 N ATOM 740 CA ASP A 49 -3.501 -10.835 -6.579 1.00 0.65 C ATOM 741 C ASP A 49 -1.984 -10.841 -6.835 1.00 0.64 C ATOM 742 O ASP A 49 -1.454 -9.846 -7.337 1.00 0.71 O ATOM 743 CB ASP A 49 -4.322 -11.154 -7.839 1.00 0.82 C ATOM 744 CG ASP A 49 -3.649 -10.699 -9.124 1.00 2.26 C ATOM 745 OD1 ASP A 49 -2.644 -11.348 -9.497 1.00 3.19 O ATOM 746 OD2 ASP A 49 -4.150 -9.720 -9.711 1.00 3.61 O ATOM 0 H ASP A 49 -4.018 -8.810 -6.721 1.00 0.63 H new ATOM 0 HA ASP A 49 -3.756 -11.629 -5.877 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -4.496 -12.229 -7.889 1.00 0.82 H new ATOM 0 HB3 ASP A 49 -5.298 -10.676 -7.759 1.00 0.82 H new ATOM 751 N PRO A 50 -1.267 -11.908 -6.446 1.00 0.74 N ATOM 752 CA PRO A 50 0.184 -11.951 -6.536 1.00 0.83 C ATOM 753 C PRO A 50 0.702 -12.098 -7.969 1.00 1.08 C ATOM 754 O PRO A 50 1.907 -11.970 -8.176 1.00 1.72 O ATOM 755 CB PRO A 50 0.626 -13.131 -5.666 1.00 1.05 C ATOM 756 CG PRO A 50 -0.599 -14.037 -5.599 1.00 1.07 C ATOM 757 CD PRO A 50 -1.782 -13.083 -5.762 1.00 0.90 C ATOM 0 HA PRO A 50 0.603 -11.006 -6.190 1.00 0.83 H new ATOM 0 HB2 PRO A 50 1.479 -13.649 -6.104 1.00 1.05 H new ATOM 0 HB3 PRO A 50 0.929 -12.800 -4.673 1.00 1.05 H new ATOM 0 HG2 PRO A 50 -0.582 -14.788 -6.388 1.00 1.07 H new ATOM 0 HG3 PRO A 50 -0.647 -14.572 -4.651 1.00 1.07 H new ATOM 0 HD2 PRO A 50 -2.581 -13.549 -6.338 1.00 0.90 H new ATOM 0 HD3 PRO A 50 -2.202 -12.816 -4.793 1.00 0.90 H new ATOM 765 N GLU A 51 -0.161 -12.387 -8.948 1.00 1.01 N ATOM 766 CA GLU A 51 0.276 -12.673 -10.303 1.00 1.13 C ATOM 767 C GLU A 51 0.486 -11.348 -11.031 1.00 1.01 C ATOM 768 O GLU A 51 1.508 -11.144 -11.684 1.00 1.41 O ATOM 769 CB GLU A 51 -0.760 -13.560 -11.013 1.00 1.53 C ATOM 770 CG GLU A 51 -1.147 -14.806 -10.197 1.00 1.70 C ATOM 771 CD GLU A 51 0.049 -15.688 -9.862 1.00 2.30 C ATOM 772 OE1 GLU A 51 0.756 -16.068 -10.821 1.00 3.34 O ATOM 773 OE2 GLU A 51 0.223 -15.983 -8.659 1.00 3.14 O ATOM 0 H GLU A 51 -1.172 -12.427 -8.818 1.00 1.01 H new ATOM 0 HA GLU A 51 1.218 -13.222 -10.297 1.00 1.13 H new ATOM 0 HB2 GLU A 51 -1.656 -12.972 -11.215 1.00 1.53 H new ATOM 0 HB3 GLU A 51 -0.361 -13.874 -11.977 1.00 1.53 H new ATOM 0 HG2 GLU A 51 -1.632 -14.493 -9.272 1.00 1.70 H new ATOM 0 HG3 GLU A 51 -1.877 -15.390 -10.758 1.00 1.70 H new ATOM 780 N ILE A 52 -0.490 -10.443 -10.919 1.00 0.90 N ATOM 781 CA ILE A 52 -0.430 -9.140 -11.561 1.00 0.96 C ATOM 782 C ILE A 52 0.404 -8.158 -10.730 1.00 0.82 C ATOM 783 O ILE A 52 1.088 -7.320 -11.316 1.00 1.06 O ATOM 784 CB ILE A 52 -1.845 -8.603 -11.844 1.00 1.19 C ATOM 785 CG1 ILE A 52 -2.729 -9.595 -12.627 1.00 1.54 C ATOM 786 CG2 ILE A 52 -1.785 -7.261 -12.590 1.00 2.61 C ATOM 787 CD1 ILE A 52 -2.234 -9.896 -14.045 1.00 2.66 C ATOM 0 H ILE A 52 -1.341 -10.599 -10.379 1.00 0.90 H new ATOM 0 HA ILE A 52 0.071 -9.252 -12.523 1.00 0.96 H new ATOM 0 HB ILE A 52 -2.309 -8.460 -10.868 1.00 1.19 H new ATOM 0 HG12 ILE A 52 -2.788 -10.530 -12.069 1.00 1.54 H new ATOM 0 HG13 ILE A 52 -3.741 -9.194 -12.685 1.00 1.54 H new ATOM 0 HG21 ILE A 52 -2.797 -6.903 -12.778 1.00 2.61 H new ATOM 0 HG22 ILE A 52 -1.249 -6.531 -11.983 1.00 2.61 H new ATOM 0 HG23 ILE A 52 -1.266 -7.395 -13.539 1.00 2.61 H new ATOM 0 HD11 ILE A 52 -2.912 -10.601 -14.525 1.00 2.66 H new ATOM 0 HD12 ILE A 52 -2.202 -8.972 -14.623 1.00 2.66 H new ATOM 0 HD13 ILE A 52 -1.235 -10.329 -13.997 1.00 2.66 H new ATOM 799 N ILE A 53 0.339 -8.211 -9.392 1.00 0.65 N ATOM 800 CA ILE A 53 0.993 -7.256 -8.520 1.00 0.77 C ATOM 801 C ILE A 53 1.710 -8.023 -7.411 1.00 0.84 C ATOM 802 O ILE A 53 1.080 -8.698 -6.601 1.00 1.31 O ATOM 803 CB ILE A 53 -0.072 -6.280 -7.982 1.00 0.86 C ATOM 804 CG1 ILE A 53 -0.369 -5.137 -8.968 1.00 1.38 C ATOM 805 CG2 ILE A 53 0.296 -5.705 -6.616 1.00 1.06 C ATOM 806 CD1 ILE A 53 0.758 -4.106 -9.091 1.00 0.78 C ATOM 0 H ILE A 53 -0.179 -8.932 -8.890 1.00 0.65 H new ATOM 0 HA ILE A 53 1.743 -6.667 -9.048 1.00 0.77 H new ATOM 0 HB ILE A 53 -0.977 -6.876 -7.865 1.00 0.86 H new ATOM 0 HG12 ILE A 53 -0.566 -5.563 -9.952 1.00 1.38 H new ATOM 0 HG13 ILE A 53 -1.280 -4.628 -8.653 1.00 1.38 H new ATOM 0 HG21 ILE A 53 -0.488 -5.024 -6.285 1.00 1.06 H new ATOM 0 HG22 ILE A 53 0.400 -6.516 -5.896 1.00 1.06 H new ATOM 0 HG23 ILE A 53 1.239 -5.163 -6.691 1.00 1.06 H new ATOM 0 HD11 ILE A 53 0.469 -3.335 -9.805 1.00 0.78 H new ATOM 0 HD12 ILE A 53 0.941 -3.650 -8.118 1.00 0.78 H new ATOM 0 HD13 ILE A 53 1.666 -4.599 -9.437 1.00 0.78 H new ATOM 818 N GLY A 54 3.032 -7.894 -7.348 1.00 0.82 N ATOM 819 CA GLY A 54 3.815 -8.380 -6.234 1.00 0.91 C ATOM 820 C GLY A 54 3.878 -7.320 -5.131 1.00 0.80 C ATOM 821 O GLY A 54 3.392 -6.199 -5.284 1.00 0.87 O ATOM 0 H GLY A 54 3.587 -7.445 -8.077 1.00 0.82 H new ATOM 0 HA2 GLY A 54 3.374 -9.297 -5.843 1.00 0.91 H new ATOM 0 HA3 GLY A 54 4.822 -8.628 -6.569 1.00 0.91 H new ATOM 825 N PRO A 55 4.516 -7.652 -3.999 1.00 0.79 N ATOM 826 CA PRO A 55 4.756 -6.702 -2.927 1.00 0.84 C ATOM 827 C PRO A 55 5.674 -5.576 -3.420 1.00 0.71 C ATOM 828 O PRO A 55 5.446 -4.403 -3.123 1.00 0.79 O ATOM 829 CB PRO A 55 5.379 -7.532 -1.798 1.00 1.01 C ATOM 830 CG PRO A 55 6.032 -8.717 -2.512 1.00 0.96 C ATOM 831 CD PRO A 55 5.118 -8.945 -3.715 1.00 0.88 C ATOM 0 HA PRO A 55 3.851 -6.204 -2.578 1.00 0.84 H new ATOM 0 HB2 PRO A 55 6.113 -6.953 -1.237 1.00 1.01 H new ATOM 0 HB3 PRO A 55 4.624 -7.864 -1.086 1.00 1.01 H new ATOM 0 HG2 PRO A 55 7.053 -8.490 -2.819 1.00 0.96 H new ATOM 0 HG3 PRO A 55 6.081 -9.597 -1.870 1.00 0.96 H new ATOM 0 HD2 PRO A 55 5.683 -9.311 -4.572 1.00 0.88 H new ATOM 0 HD3 PRO A 55 4.356 -9.692 -3.492 1.00 0.88 H new ATOM 839 N ARG A 56 6.710 -5.953 -4.182 1.00 0.62 N ATOM 840 CA ARG A 56 7.630 -5.047 -4.857 1.00 0.74 C ATOM 841 C ARG A 56 6.882 -3.900 -5.528 1.00 0.63 C ATOM 842 O ARG A 56 7.208 -2.750 -5.263 1.00 0.65 O ATOM 843 CB ARG A 56 8.475 -5.818 -5.885 1.00 1.14 C ATOM 844 CG ARG A 56 9.791 -6.396 -5.338 1.00 1.85 C ATOM 845 CD ARG A 56 9.649 -7.435 -4.217 1.00 3.31 C ATOM 846 NE ARG A 56 9.387 -6.804 -2.911 1.00 4.53 N ATOM 847 CZ ARG A 56 9.411 -7.432 -1.725 1.00 6.28 C ATOM 848 NH1 ARG A 56 9.627 -8.751 -1.675 1.00 7.13 N ATOM 849 NH2 ARG A 56 9.214 -6.738 -0.598 1.00 7.51 N ATOM 0 H ARG A 56 6.932 -6.935 -4.347 1.00 0.62 H new ATOM 0 HA ARG A 56 8.295 -4.616 -4.108 1.00 0.74 H new ATOM 0 HB2 ARG A 56 7.876 -6.635 -6.287 1.00 1.14 H new ATOM 0 HB3 ARG A 56 8.705 -5.152 -6.717 1.00 1.14 H new ATOM 0 HG2 ARG A 56 10.336 -6.853 -6.164 1.00 1.85 H new ATOM 0 HG3 ARG A 56 10.402 -5.572 -4.969 1.00 1.85 H new ATOM 0 HD2 ARG A 56 8.836 -8.120 -4.458 1.00 3.31 H new ATOM 0 HD3 ARG A 56 10.560 -8.030 -4.156 1.00 3.31 H new ATOM 0 HE ARG A 56 9.169 -5.807 -2.908 1.00 4.53 H new ATOM 0 HH11 ARG A 56 9.773 -9.277 -2.537 1.00 7.13 H new ATOM 0 HH12 ARG A 56 9.646 -9.231 -0.775 1.00 7.13 H new ATOM 0 HH21 ARG A 56 9.046 -5.733 -0.641 1.00 7.51 H new ATOM 0 HH22 ARG A 56 9.232 -7.214 0.304 1.00 7.51 H new ATOM 863 N ASP A 57 5.904 -4.195 -6.389 1.00 0.60 N ATOM 864 CA ASP A 57 5.184 -3.182 -7.144 1.00 0.63 C ATOM 865 C ASP A 57 4.624 -2.113 -6.207 1.00 0.53 C ATOM 866 O ASP A 57 4.895 -0.921 -6.362 1.00 0.55 O ATOM 867 CB ASP A 57 4.052 -3.842 -7.939 1.00 0.84 C ATOM 868 CG ASP A 57 4.545 -5.012 -8.772 1.00 1.30 C ATOM 869 OD1 ASP A 57 4.826 -6.056 -8.141 1.00 2.46 O ATOM 870 OD2 ASP A 57 4.643 -4.840 -10.004 1.00 2.12 O ATOM 0 H ASP A 57 5.593 -5.148 -6.578 1.00 0.60 H new ATOM 0 HA ASP A 57 5.873 -2.699 -7.837 1.00 0.63 H new ATOM 0 HB2 ASP A 57 3.280 -4.187 -7.251 1.00 0.84 H new ATOM 0 HB3 ASP A 57 3.589 -3.102 -8.592 1.00 0.84 H new ATOM 875 N ILE A 58 3.834 -2.546 -5.224 1.00 0.54 N ATOM 876 CA ILE A 58 3.176 -1.634 -4.300 1.00 0.55 C ATOM 877 C ILE A 58 4.217 -0.810 -3.550 1.00 0.50 C ATOM 878 O ILE A 58 4.142 0.419 -3.553 1.00 0.52 O ATOM 879 CB ILE A 58 2.235 -2.403 -3.362 1.00 0.63 C ATOM 880 CG1 ILE A 58 1.047 -2.953 -4.155 1.00 0.68 C ATOM 881 CG2 ILE A 58 1.726 -1.532 -2.205 1.00 0.72 C ATOM 882 CD1 ILE A 58 0.633 -4.297 -3.565 1.00 0.77 C ATOM 0 H ILE A 58 3.636 -3.531 -5.050 1.00 0.54 H new ATOM 0 HA ILE A 58 2.554 -0.934 -4.858 1.00 0.55 H new ATOM 0 HB ILE A 58 2.807 -3.223 -2.928 1.00 0.63 H new ATOM 0 HG12 ILE A 58 0.213 -2.253 -4.117 1.00 0.68 H new ATOM 0 HG13 ILE A 58 1.317 -3.070 -5.204 1.00 0.68 H new ATOM 0 HG21 ILE A 58 1.064 -2.121 -1.570 1.00 0.72 H new ATOM 0 HG22 ILE A 58 2.572 -1.177 -1.617 1.00 0.72 H new ATOM 0 HG23 ILE A 58 1.179 -0.678 -2.605 1.00 0.72 H new ATOM 0 HD11 ILE A 58 -0.213 -4.695 -4.125 1.00 0.77 H new ATOM 0 HD12 ILE A 58 1.469 -4.994 -3.626 1.00 0.77 H new ATOM 0 HD13 ILE A 58 0.347 -4.164 -2.522 1.00 0.77 H new ATOM 894 N ILE A 59 5.186 -1.481 -2.923 1.00 0.49 N ATOM 895 CA ILE A 59 6.236 -0.820 -2.164 1.00 0.52 C ATOM 896 C ILE A 59 6.920 0.229 -3.045 1.00 0.54 C ATOM 897 O ILE A 59 6.937 1.409 -2.705 1.00 0.53 O ATOM 898 CB ILE A 59 7.187 -1.898 -1.621 1.00 0.55 C ATOM 899 CG1 ILE A 59 6.457 -2.692 -0.522 1.00 0.67 C ATOM 900 CG2 ILE A 59 8.481 -1.290 -1.074 1.00 0.62 C ATOM 901 CD1 ILE A 59 7.122 -4.042 -0.258 1.00 1.08 C ATOM 0 H ILE A 59 5.260 -2.498 -2.931 1.00 0.49 H new ATOM 0 HA ILE A 59 5.840 -0.277 -1.306 1.00 0.52 H new ATOM 0 HB ILE A 59 7.469 -2.562 -2.438 1.00 0.55 H new ATOM 0 HG12 ILE A 59 6.442 -2.108 0.398 1.00 0.67 H new ATOM 0 HG13 ILE A 59 5.419 -2.850 -0.816 1.00 0.67 H new ATOM 0 HG21 ILE A 59 9.126 -2.085 -0.700 1.00 0.62 H new ATOM 0 HG22 ILE A 59 8.994 -0.750 -1.870 1.00 0.62 H new ATOM 0 HG23 ILE A 59 8.245 -0.602 -0.262 1.00 0.62 H new ATOM 0 HD11 ILE A 59 6.576 -4.570 0.524 1.00 1.08 H new ATOM 0 HD12 ILE A 59 7.113 -4.637 -1.171 1.00 1.08 H new ATOM 0 HD13 ILE A 59 8.152 -3.884 0.062 1.00 1.08 H new ATOM 913 N HIS A 60 7.407 -0.192 -4.211 1.00 0.61 N ATOM 914 CA HIS A 60 8.044 0.671 -5.191 1.00 0.69 C ATOM 915 C HIS A 60 7.169 1.879 -5.528 1.00 0.65 C ATOM 916 O HIS A 60 7.684 2.982 -5.685 1.00 0.70 O ATOM 917 CB HIS A 60 8.360 -0.139 -6.453 1.00 0.84 C ATOM 918 CG HIS A 60 8.964 0.692 -7.551 1.00 1.62 C ATOM 919 ND1 HIS A 60 8.267 1.354 -8.538 1.00 3.11 N ATOM 920 CD2 HIS A 60 10.289 0.999 -7.698 1.00 2.50 C ATOM 921 CE1 HIS A 60 9.163 2.037 -9.271 1.00 4.31 C ATOM 922 NE2 HIS A 60 10.408 1.851 -8.801 1.00 4.00 N ATOM 0 H HIS A 60 7.366 -1.168 -4.503 1.00 0.61 H new ATOM 0 HA HIS A 60 8.971 1.054 -4.765 1.00 0.69 H new ATOM 0 HB2 HIS A 60 9.046 -0.946 -6.197 1.00 0.84 H new ATOM 0 HB3 HIS A 60 7.444 -0.603 -6.819 1.00 0.84 H new ATOM 0 HD2 HIS A 60 11.098 0.647 -7.075 1.00 2.50 H new ATOM 0 HE1 HIS A 60 8.916 2.653 -10.123 1.00 4.31 H new ATOM 0 HE2 HIS A 60 11.269 2.251 -9.174 1.00 4.00 H new ATOM 930 N THR A 61 5.856 1.684 -5.675 1.00 0.60 N ATOM 931 CA THR A 61 4.964 2.776 -6.040 1.00 0.64 C ATOM 932 C THR A 61 4.845 3.760 -4.870 1.00 0.54 C ATOM 933 O THR A 61 4.998 4.968 -5.043 1.00 0.61 O ATOM 934 CB THR A 61 3.613 2.221 -6.516 1.00 0.74 C ATOM 935 OG1 THR A 61 3.833 1.299 -7.564 1.00 0.96 O ATOM 936 CG2 THR A 61 2.717 3.329 -7.073 1.00 1.01 C ATOM 0 H THR A 61 5.394 0.784 -5.547 1.00 0.60 H new ATOM 0 HA THR A 61 5.375 3.336 -6.880 1.00 0.64 H new ATOM 0 HB THR A 61 3.129 1.754 -5.658 1.00 0.74 H new ATOM 0 HG1 THR A 61 4.217 0.475 -7.199 1.00 0.96 H new ATOM 0 HG21 THR A 61 1.770 2.901 -7.400 1.00 1.01 H new ATOM 0 HG22 THR A 61 2.531 4.071 -6.297 1.00 1.01 H new ATOM 0 HG23 THR A 61 3.211 3.806 -7.919 1.00 1.01 H new ATOM 944 N ILE A 62 4.595 3.245 -3.664 1.00 0.44 N ATOM 945 CA ILE A 62 4.562 4.053 -2.449 1.00 0.45 C ATOM 946 C ILE A 62 5.845 4.891 -2.355 1.00 0.49 C ATOM 947 O ILE A 62 5.788 6.110 -2.174 1.00 0.56 O ATOM 948 CB ILE A 62 4.344 3.128 -1.234 1.00 0.44 C ATOM 949 CG1 ILE A 62 2.898 2.601 -1.258 1.00 0.47 C ATOM 950 CG2 ILE A 62 4.598 3.859 0.092 1.00 0.72 C ATOM 951 CD1 ILE A 62 2.633 1.505 -0.223 1.00 1.26 C ATOM 0 H ILE A 62 4.410 2.255 -3.505 1.00 0.44 H new ATOM 0 HA ILE A 62 3.730 4.758 -2.468 1.00 0.45 H new ATOM 0 HB ILE A 62 5.055 2.304 -1.302 1.00 0.44 H new ATOM 0 HG12 ILE A 62 2.214 3.431 -1.081 1.00 0.47 H new ATOM 0 HG13 ILE A 62 2.677 2.213 -2.252 1.00 0.47 H new ATOM 0 HG21 ILE A 62 4.434 3.173 0.923 1.00 0.72 H new ATOM 0 HG22 ILE A 62 5.626 4.220 0.117 1.00 0.72 H new ATOM 0 HG23 ILE A 62 3.915 4.704 0.178 1.00 0.72 H new ATOM 0 HD11 ILE A 62 1.595 1.180 -0.295 1.00 1.26 H new ATOM 0 HD12 ILE A 62 3.293 0.658 -0.413 1.00 1.26 H new ATOM 0 HD13 ILE A 62 2.822 1.895 0.777 1.00 1.26 H new ATOM 963 N GLU A 63 6.996 4.233 -2.506 1.00 0.49 N ATOM 964 CA GLU A 63 8.299 4.871 -2.511 1.00 0.60 C ATOM 965 C GLU A 63 8.375 5.964 -3.579 1.00 0.58 C ATOM 966 O GLU A 63 8.689 7.112 -3.268 1.00 0.65 O ATOM 967 CB GLU A 63 9.388 3.803 -2.676 1.00 0.74 C ATOM 968 CG GLU A 63 9.484 2.926 -1.416 1.00 1.10 C ATOM 969 CD GLU A 63 10.360 1.693 -1.607 1.00 1.20 C ATOM 970 OE1 GLU A 63 10.708 1.395 -2.771 1.00 1.45 O ATOM 971 OE2 GLU A 63 10.653 1.054 -0.574 1.00 2.46 O ATOM 0 H GLU A 63 7.041 3.222 -2.630 1.00 0.49 H new ATOM 0 HA GLU A 63 8.464 5.372 -1.557 1.00 0.60 H new ATOM 0 HB2 GLU A 63 9.165 3.180 -3.543 1.00 0.74 H new ATOM 0 HB3 GLU A 63 10.349 4.282 -2.866 1.00 0.74 H new ATOM 0 HG2 GLU A 63 9.882 3.523 -0.595 1.00 1.10 H new ATOM 0 HG3 GLU A 63 8.482 2.610 -1.124 1.00 1.10 H new ATOM 978 N SER A 64 8.093 5.619 -4.838 1.00 0.59 N ATOM 979 CA SER A 64 8.263 6.535 -5.954 1.00 0.74 C ATOM 980 C SER A 64 7.359 7.763 -5.832 1.00 0.68 C ATOM 981 O SER A 64 7.754 8.838 -6.278 1.00 0.87 O ATOM 982 CB SER A 64 8.086 5.808 -7.290 1.00 0.95 C ATOM 983 OG SER A 64 6.757 5.362 -7.458 1.00 1.78 O ATOM 0 H SER A 64 7.742 4.699 -5.105 1.00 0.59 H new ATOM 0 HA SER A 64 9.286 6.910 -5.923 1.00 0.74 H new ATOM 0 HB2 SER A 64 8.354 6.476 -8.109 1.00 0.95 H new ATOM 0 HB3 SER A 64 8.766 4.958 -7.337 1.00 0.95 H new ATOM 0 HG SER A 64 6.325 5.285 -6.582 1.00 1.78 H new ATOM 989 N LEU A 65 6.166 7.624 -5.238 1.00 0.56 N ATOM 990 CA LEU A 65 5.320 8.766 -4.924 1.00 0.58 C ATOM 991 C LEU A 65 6.042 9.752 -3.991 1.00 0.64 C ATOM 992 O LEU A 65 6.547 10.772 -4.456 1.00 0.94 O ATOM 993 CB LEU A 65 3.968 8.300 -4.352 1.00 0.66 C ATOM 994 CG LEU A 65 2.827 8.183 -5.376 1.00 0.81 C ATOM 995 CD1 LEU A 65 2.439 9.555 -5.934 1.00 2.65 C ATOM 996 CD2 LEU A 65 3.119 7.221 -6.527 1.00 1.84 C ATOM 0 H LEU A 65 5.770 6.724 -4.967 1.00 0.56 H new ATOM 0 HA LEU A 65 5.110 9.306 -5.847 1.00 0.58 H new ATOM 0 HB2 LEU A 65 4.108 7.329 -3.877 1.00 0.66 H new ATOM 0 HB3 LEU A 65 3.663 8.996 -3.571 1.00 0.66 H new ATOM 0 HG LEU A 65 1.990 7.761 -4.820 1.00 0.81 H new ATOM 0 HD11 LEU A 65 1.630 9.439 -6.655 1.00 2.65 H new ATOM 0 HD12 LEU A 65 2.109 10.199 -5.119 1.00 2.65 H new ATOM 0 HD13 LEU A 65 3.301 10.005 -6.426 1.00 2.65 H new ATOM 0 HD21 LEU A 65 2.266 7.195 -7.205 1.00 1.84 H new ATOM 0 HD22 LEU A 65 4.003 7.559 -7.068 1.00 1.84 H new ATOM 0 HD23 LEU A 65 3.297 6.222 -6.130 1.00 1.84 H new ATOM 1008 N GLY A 66 5.997 9.542 -2.670 1.00 0.58 N ATOM 1009 CA GLY A 66 6.697 10.430 -1.745 1.00 0.73 C ATOM 1010 C GLY A 66 6.920 9.827 -0.361 1.00 0.72 C ATOM 1011 O GLY A 66 6.956 10.575 0.615 1.00 0.98 O ATOM 0 H GLY A 66 5.490 8.776 -2.226 1.00 0.58 H new ATOM 0 HA2 GLY A 66 7.663 10.698 -2.174 1.00 0.73 H new ATOM 0 HA3 GLY A 66 6.127 11.353 -1.641 1.00 0.73 H new ATOM 1015 N PHE A 67 6.977 8.498 -0.244 1.00 0.60 N ATOM 1016 CA PHE A 67 6.656 7.816 1.007 1.00 0.54 C ATOM 1017 C PHE A 67 7.660 6.700 1.298 1.00 0.63 C ATOM 1018 O PHE A 67 8.569 6.470 0.508 1.00 0.98 O ATOM 1019 CB PHE A 67 5.212 7.304 0.909 1.00 0.54 C ATOM 1020 CG PHE A 67 4.191 8.362 0.520 1.00 0.54 C ATOM 1021 CD1 PHE A 67 4.074 9.528 1.297 1.00 1.58 C ATOM 1022 CD2 PHE A 67 3.438 8.241 -0.664 1.00 1.62 C ATOM 1023 CE1 PHE A 67 3.236 10.575 0.887 1.00 1.59 C ATOM 1024 CE2 PHE A 67 2.549 9.265 -1.042 1.00 1.64 C ATOM 1025 CZ PHE A 67 2.460 10.439 -0.275 1.00 0.62 C ATOM 0 H PHE A 67 7.244 7.873 -1.005 1.00 0.60 H new ATOM 0 HA PHE A 67 6.730 8.504 1.849 1.00 0.54 H new ATOM 0 HB2 PHE A 67 5.175 6.496 0.178 1.00 0.54 H new ATOM 0 HB3 PHE A 67 4.926 6.877 1.870 1.00 0.54 H new ATOM 0 HD1 PHE A 67 4.634 9.618 2.216 1.00 1.58 H new ATOM 0 HD2 PHE A 67 3.543 7.362 -1.282 1.00 1.62 H new ATOM 0 HE1 PHE A 67 3.188 11.486 1.465 1.00 1.59 H new ATOM 0 HE2 PHE A 67 1.935 9.148 -1.923 1.00 1.64 H new ATOM 0 HZ PHE A 67 1.796 11.235 -0.579 1.00 0.62 H new ATOM 1035 N GLU A 68 7.514 6.030 2.442 1.00 0.58 N ATOM 1036 CA GLU A 68 8.278 4.835 2.790 1.00 0.65 C ATOM 1037 C GLU A 68 7.289 3.696 3.012 1.00 0.66 C ATOM 1038 O GLU A 68 6.147 3.969 3.386 1.00 0.87 O ATOM 1039 CB GLU A 68 9.026 5.030 4.111 1.00 0.88 C ATOM 1040 CG GLU A 68 9.791 6.348 4.288 1.00 1.91 C ATOM 1041 CD GLU A 68 10.348 6.434 5.701 1.00 2.25 C ATOM 1042 OE1 GLU A 68 10.298 5.418 6.423 1.00 2.34 O ATOM 1043 OE2 GLU A 68 10.752 7.527 6.148 1.00 3.48 O ATOM 0 H GLU A 68 6.850 6.309 3.164 1.00 0.58 H new ATOM 0 HA GLU A 68 8.988 4.629 1.989 1.00 0.65 H new ATOM 0 HB2 GLU A 68 8.306 4.944 4.925 1.00 0.88 H new ATOM 0 HB3 GLU A 68 9.734 4.209 4.224 1.00 0.88 H new ATOM 0 HG2 GLU A 68 10.603 6.408 3.563 1.00 1.91 H new ATOM 0 HG3 GLU A 68 9.129 7.192 4.096 1.00 1.91 H new ATOM 1050 N ALA A 69 7.739 2.442 2.889 1.00 0.60 N ATOM 1051 CA ALA A 69 6.970 1.283 3.321 1.00 0.59 C ATOM 1052 C ALA A 69 7.883 0.184 3.867 1.00 0.64 C ATOM 1053 O ALA A 69 9.046 0.099 3.480 1.00 0.87 O ATOM 1054 CB ALA A 69 6.142 0.746 2.151 1.00 0.90 C ATOM 0 H ALA A 69 8.647 2.209 2.487 1.00 0.60 H new ATOM 0 HA ALA A 69 6.303 1.595 4.125 1.00 0.59 H new ATOM 0 HB1 ALA A 69 5.568 -0.121 2.479 1.00 0.90 H new ATOM 0 HB2 ALA A 69 5.460 1.521 1.802 1.00 0.90 H new ATOM 0 HB3 ALA A 69 6.807 0.455 1.338 1.00 0.90 H new ATOM 1060 N SER A 70 7.368 -0.657 4.772 1.00 0.63 N ATOM 1061 CA SER A 70 8.027 -1.875 5.244 1.00 0.84 C ATOM 1062 C SER A 70 6.972 -2.850 5.777 1.00 0.73 C ATOM 1063 O SER A 70 6.086 -2.422 6.505 1.00 0.78 O ATOM 1064 CB SER A 70 9.036 -1.527 6.346 1.00 1.13 C ATOM 1065 OG SER A 70 10.184 -0.915 5.792 1.00 2.20 O ATOM 0 H SER A 70 6.458 -0.503 5.206 1.00 0.63 H new ATOM 0 HA SER A 70 8.561 -2.345 4.418 1.00 0.84 H new ATOM 0 HB2 SER A 70 8.574 -0.857 7.072 1.00 1.13 H new ATOM 0 HB3 SER A 70 9.322 -2.431 6.884 1.00 1.13 H new ATOM 0 HG SER A 70 9.970 -0.564 4.903 1.00 2.20 H new ATOM 1071 N LEU A 71 7.058 -4.143 5.433 1.00 0.80 N ATOM 1072 CA LEU A 71 6.113 -5.178 5.867 1.00 0.79 C ATOM 1073 C LEU A 71 5.974 -5.170 7.395 1.00 0.88 C ATOM 1074 O LEU A 71 4.910 -4.831 7.901 1.00 2.55 O ATOM 1075 CB LEU A 71 6.563 -6.563 5.369 1.00 1.03 C ATOM 1076 CG LEU A 71 6.278 -6.824 3.877 1.00 1.68 C ATOM 1077 CD1 LEU A 71 7.136 -5.964 2.941 1.00 2.79 C ATOM 1078 CD2 LEU A 71 6.549 -8.302 3.572 1.00 2.52 C ATOM 0 H LEU A 71 7.801 -4.504 4.834 1.00 0.80 H new ATOM 0 HA LEU A 71 5.137 -4.960 5.433 1.00 0.79 H new ATOM 0 HB2 LEU A 71 7.633 -6.670 5.547 1.00 1.03 H new ATOM 0 HB3 LEU A 71 6.063 -7.329 5.962 1.00 1.03 H new ATOM 0 HG LEU A 71 5.236 -6.559 3.697 1.00 1.68 H new ATOM 0 HD11 LEU A 71 6.888 -6.195 1.905 1.00 2.79 H new ATOM 0 HD12 LEU A 71 6.940 -4.909 3.135 1.00 2.79 H new ATOM 0 HD13 LEU A 71 8.191 -6.176 3.117 1.00 2.79 H new ATOM 0 HD21 LEU A 71 6.351 -8.498 2.518 1.00 2.52 H new ATOM 0 HD22 LEU A 71 7.590 -8.534 3.795 1.00 2.52 H new ATOM 0 HD23 LEU A 71 5.899 -8.925 4.186 1.00 2.52 H new