USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 545 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 29 HIS : no HE2:sc= -1.47 K(o=-0.49,f=-2!) USER MOD Set 1.2: A 61 THR OG1 : rot 83:sc= 0.981 USER MOD Set 2.1: A 24 SER OG : rot -89:sc= 0.928 USER MOD Set 2.2: A 28 LYS NZ :NH3+ 173:sc= 2.2 (180deg=1.06) USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0.145 USER MOD Set 3.2: A 17 SER OG : rot -83:sc= 0.761 USER MOD Set 3.3: A 18 CYS SG : rot 18:sc= 1.52 USER MOD Single : A 13 MET CE :methyl 172:sc= -1.01 (180deg=-1.37) USER MOD Single : A 14 THR OG1 : rot -43:sc= 0.811 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.172 F(o=-1,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.21) USER MOD Single : A 25 SER OG : rot 70:sc= -0.239 USER MOD Single : A 27 THR OG1 : rot -81:sc= 1.11 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -10:sc= -0.431 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -27:sc= 0.928 USER MOD Single : A 42 ASN : amide:sc= 1.25 K(o=1.2,f=-0.0079) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.02) USER MOD Single : A 45 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-7.6!) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.00638) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -1.55 K(o=-1.6,f=-5.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 4.414 4.077 -11.831 1.00 0.98 N ATOM 40 CA GLY A 4 5.111 3.246 -10.860 1.00 1.03 C ATOM 41 C GLY A 4 4.153 2.290 -10.142 1.00 0.99 C ATOM 42 O GLY A 4 3.470 2.664 -9.191 1.00 1.62 O ATOM 0 HA2 GLY A 4 5.889 2.672 -11.364 1.00 1.03 H new ATOM 0 HA3 GLY A 4 5.608 3.882 -10.127 1.00 1.03 H new ATOM 46 N VAL A 5 4.122 1.025 -10.559 1.00 0.72 N ATOM 47 CA VAL A 5 3.374 -0.001 -9.847 1.00 0.67 C ATOM 48 C VAL A 5 4.169 -0.444 -8.615 1.00 0.69 C ATOM 49 O VAL A 5 5.388 -0.602 -8.674 1.00 1.02 O ATOM 50 CB VAL A 5 3.014 -1.167 -10.789 1.00 0.81 C ATOM 51 CG1 VAL A 5 4.239 -1.879 -11.381 1.00 1.97 C ATOM 52 CG2 VAL A 5 2.128 -2.196 -10.072 1.00 1.89 C ATOM 0 H VAL A 5 4.609 0.689 -11.390 1.00 0.72 H new ATOM 0 HA VAL A 5 2.425 0.404 -9.496 1.00 0.67 H new ATOM 0 HB VAL A 5 2.470 -0.715 -11.618 1.00 0.81 H new ATOM 0 HG11 VAL A 5 3.910 -2.688 -12.033 1.00 1.97 H new ATOM 0 HG12 VAL A 5 4.831 -1.167 -11.956 1.00 1.97 H new ATOM 0 HG13 VAL A 5 4.847 -2.288 -10.574 1.00 1.97 H new ATOM 0 HG21 VAL A 5 1.887 -3.009 -10.757 1.00 1.89 H new ATOM 0 HG22 VAL A 5 2.660 -2.595 -9.208 1.00 1.89 H new ATOM 0 HG23 VAL A 5 1.207 -1.716 -9.741 1.00 1.89 H new ATOM 62 N LEU A 6 3.473 -0.630 -7.494 1.00 0.62 N ATOM 63 CA LEU A 6 4.005 -1.169 -6.256 1.00 0.69 C ATOM 64 C LEU A 6 2.947 -2.107 -5.701 1.00 0.59 C ATOM 65 O LEU A 6 2.083 -1.731 -4.910 1.00 0.76 O ATOM 66 CB LEU A 6 4.354 -0.022 -5.300 1.00 0.88 C ATOM 67 CG LEU A 6 4.835 -0.448 -3.904 1.00 1.33 C ATOM 68 CD1 LEU A 6 6.163 -1.207 -3.978 1.00 1.66 C ATOM 69 CD2 LEU A 6 5.010 0.808 -3.043 1.00 2.23 C ATOM 0 H LEU A 6 2.482 -0.398 -7.427 1.00 0.62 H new ATOM 0 HA LEU A 6 4.930 -1.725 -6.406 1.00 0.69 H new ATOM 0 HB2 LEU A 6 5.129 0.589 -5.762 1.00 0.88 H new ATOM 0 HB3 LEU A 6 3.475 0.612 -5.185 1.00 0.88 H new ATOM 0 HG LEU A 6 4.093 -1.115 -3.465 1.00 1.33 H new ATOM 0 HD11 LEU A 6 6.475 -1.494 -2.974 1.00 1.66 H new ATOM 0 HD12 LEU A 6 6.037 -2.101 -4.588 1.00 1.66 H new ATOM 0 HD13 LEU A 6 6.924 -0.567 -4.425 1.00 1.66 H new ATOM 0 HD21 LEU A 6 5.351 0.522 -2.048 1.00 2.23 H new ATOM 0 HD22 LEU A 6 5.747 1.466 -3.504 1.00 2.23 H new ATOM 0 HD23 LEU A 6 4.057 1.330 -2.963 1.00 2.23 H new ATOM 81 N GLU A 7 3.032 -3.354 -6.141 1.00 0.65 N ATOM 82 CA GLU A 7 2.240 -4.421 -5.588 1.00 0.66 C ATOM 83 C GLU A 7 2.928 -4.840 -4.291 1.00 0.66 C ATOM 84 O GLU A 7 4.115 -5.179 -4.308 1.00 0.78 O ATOM 85 CB GLU A 7 2.188 -5.556 -6.617 1.00 0.78 C ATOM 86 CG GLU A 7 0.798 -6.176 -6.695 1.00 1.02 C ATOM 87 CD GLU A 7 -0.200 -5.321 -7.445 1.00 1.06 C ATOM 88 OE1 GLU A 7 0.174 -4.199 -7.833 1.00 2.23 O ATOM 89 OE2 GLU A 7 -1.326 -5.839 -7.642 1.00 2.25 O ATOM 0 H GLU A 7 3.656 -3.646 -6.893 1.00 0.65 H new ATOM 0 HA GLU A 7 1.213 -4.130 -5.369 1.00 0.66 H new ATOM 0 HB2 GLU A 7 2.472 -5.173 -7.597 1.00 0.78 H new ATOM 0 HB3 GLU A 7 2.915 -6.323 -6.351 1.00 0.78 H new ATOM 0 HG2 GLU A 7 0.869 -7.149 -7.181 1.00 1.02 H new ATOM 0 HG3 GLU A 7 0.429 -6.350 -5.684 1.00 1.02 H new ATOM 96 N LEU A 8 2.213 -4.801 -3.166 1.00 0.68 N ATOM 97 CA LEU A 8 2.759 -5.229 -1.887 1.00 0.67 C ATOM 98 C LEU A 8 1.802 -6.202 -1.200 1.00 0.55 C ATOM 99 O LEU A 8 0.596 -5.971 -1.178 1.00 0.56 O ATOM 100 CB LEU A 8 3.219 -4.018 -1.047 1.00 0.84 C ATOM 101 CG LEU A 8 2.278 -2.807 -0.940 1.00 1.23 C ATOM 102 CD1 LEU A 8 1.165 -3.044 0.078 1.00 2.15 C ATOM 103 CD2 LEU A 8 3.065 -1.582 -0.465 1.00 1.91 C ATOM 0 H LEU A 8 1.248 -4.474 -3.120 1.00 0.68 H new ATOM 0 HA LEU A 8 3.674 -5.803 -2.036 1.00 0.67 H new ATOM 0 HB2 LEU A 8 3.422 -4.372 -0.036 1.00 0.84 H new ATOM 0 HB3 LEU A 8 4.166 -3.668 -1.458 1.00 0.84 H new ATOM 0 HG LEU A 8 1.846 -2.651 -1.928 1.00 1.23 H new ATOM 0 HD11 LEU A 8 0.521 -2.166 0.124 1.00 2.15 H new ATOM 0 HD12 LEU A 8 0.576 -3.910 -0.222 1.00 2.15 H new ATOM 0 HD13 LEU A 8 1.602 -3.226 1.060 1.00 2.15 H new ATOM 0 HD21 LEU A 8 2.395 -0.726 -0.390 1.00 1.91 H new ATOM 0 HD22 LEU A 8 3.502 -1.787 0.512 1.00 1.91 H new ATOM 0 HD23 LEU A 8 3.859 -1.360 -1.178 1.00 1.91 H new ATOM 115 N VAL A 9 2.333 -7.317 -0.686 1.00 0.52 N ATOM 116 CA VAL A 9 1.580 -8.258 0.136 1.00 0.46 C ATOM 117 C VAL A 9 1.466 -7.687 1.549 1.00 0.50 C ATOM 118 O VAL A 9 2.372 -6.986 2.001 1.00 0.63 O ATOM 119 CB VAL A 9 2.210 -9.663 0.128 1.00 0.53 C ATOM 120 CG1 VAL A 9 1.833 -10.410 -1.156 1.00 2.73 C ATOM 121 CG2 VAL A 9 3.726 -9.664 0.353 1.00 2.61 C ATOM 0 H VAL A 9 3.305 -7.590 -0.833 1.00 0.52 H new ATOM 0 HA VAL A 9 0.581 -8.383 -0.282 1.00 0.46 H new ATOM 0 HB VAL A 9 1.793 -10.193 0.984 1.00 0.53 H new ATOM 0 HG11 VAL A 9 2.286 -11.401 -1.147 1.00 2.73 H new ATOM 0 HG12 VAL A 9 0.749 -10.507 -1.216 1.00 2.73 H new ATOM 0 HG13 VAL A 9 2.196 -9.854 -2.020 1.00 2.73 H new ATOM 0 HG21 VAL A 9 4.096 -10.689 0.334 1.00 2.61 H new ATOM 0 HG22 VAL A 9 4.211 -9.088 -0.435 1.00 2.61 H new ATOM 0 HG23 VAL A 9 3.951 -9.215 1.321 1.00 2.61 H new ATOM 131 N VAL A 10 0.339 -7.944 2.221 1.00 0.68 N ATOM 132 CA VAL A 10 -0.032 -7.301 3.473 1.00 0.67 C ATOM 133 C VAL A 10 -0.716 -8.304 4.395 1.00 0.74 C ATOM 134 O VAL A 10 -1.769 -8.846 4.050 1.00 1.08 O ATOM 135 CB VAL A 10 -0.992 -6.136 3.202 1.00 0.72 C ATOM 136 CG1 VAL A 10 -1.239 -5.345 4.490 1.00 1.63 C ATOM 137 CG2 VAL A 10 -0.445 -5.151 2.176 1.00 1.52 C ATOM 0 H VAL A 10 -0.352 -8.621 1.897 1.00 0.68 H new ATOM 0 HA VAL A 10 0.873 -6.925 3.950 1.00 0.67 H new ATOM 0 HB VAL A 10 -1.908 -6.585 2.819 1.00 0.72 H new ATOM 0 HG11 VAL A 10 -1.922 -4.520 4.285 1.00 1.63 H new ATOM 0 HG12 VAL A 10 -1.678 -6.001 5.242 1.00 1.63 H new ATOM 0 HG13 VAL A 10 -0.294 -4.949 4.861 1.00 1.63 H new ATOM 0 HG21 VAL A 10 -1.165 -4.347 2.023 1.00 1.52 H new ATOM 0 HG22 VAL A 10 0.494 -4.733 2.538 1.00 1.52 H new ATOM 0 HG23 VAL A 10 -0.272 -5.668 1.232 1.00 1.52 H new ATOM 147 N ARG A 11 -0.155 -8.499 5.592 1.00 0.71 N ATOM 148 CA ARG A 11 -0.800 -9.260 6.645 1.00 0.86 C ATOM 149 C ARG A 11 -1.321 -8.300 7.708 1.00 0.80 C ATOM 150 O ARG A 11 -0.620 -7.376 8.124 1.00 0.85 O ATOM 151 CB ARG A 11 0.150 -10.281 7.282 1.00 1.22 C ATOM 152 CG ARG A 11 0.921 -11.159 6.288 1.00 1.74 C ATOM 153 CD ARG A 11 2.280 -10.554 5.917 1.00 1.75 C ATOM 154 NE ARG A 11 3.119 -11.494 5.162 1.00 2.89 N ATOM 155 CZ ARG A 11 4.435 -11.321 4.956 1.00 3.73 C ATOM 156 NH1 ARG A 11 5.030 -10.180 5.319 1.00 4.16 N ATOM 157 NH2 ARG A 11 5.153 -12.297 4.387 1.00 4.95 N ATOM 0 H ARG A 11 0.760 -8.130 5.850 1.00 0.71 H new ATOM 0 HA ARG A 11 -1.625 -9.818 6.203 1.00 0.86 H new ATOM 0 HB2 ARG A 11 0.868 -9.747 7.905 1.00 1.22 H new ATOM 0 HB3 ARG A 11 -0.427 -10.928 7.943 1.00 1.22 H new ATOM 0 HG2 ARG A 11 1.071 -12.149 6.720 1.00 1.74 H new ATOM 0 HG3 ARG A 11 0.325 -11.292 5.385 1.00 1.74 H new ATOM 0 HD2 ARG A 11 2.125 -9.652 5.325 1.00 1.75 H new ATOM 0 HD3 ARG A 11 2.802 -10.253 6.825 1.00 1.75 H new ATOM 0 HE ARG A 11 2.677 -12.326 4.772 1.00 2.89 H new ATOM 0 HH11 ARG A 11 4.484 -9.436 5.754 1.00 4.16 H new ATOM 0 HH12 ARG A 11 6.030 -10.053 5.161 1.00 4.16 H new ATOM 0 HH21 ARG A 11 4.701 -13.169 4.111 1.00 4.95 H new ATOM 0 HH22 ARG A 11 6.153 -12.169 4.229 1.00 4.95 H new ATOM 171 N GLY A 12 -2.574 -8.533 8.097 1.00 1.00 N ATOM 172 CA GLY A 12 -3.326 -7.807 9.110 1.00 1.18 C ATOM 173 C GLY A 12 -4.630 -7.295 8.496 1.00 1.24 C ATOM 174 O GLY A 12 -5.627 -7.120 9.187 1.00 1.86 O ATOM 0 H GLY A 12 -3.124 -9.285 7.683 1.00 1.00 H new ATOM 0 HA2 GLY A 12 -3.540 -8.458 9.958 1.00 1.18 H new ATOM 0 HA3 GLY A 12 -2.736 -6.973 9.490 1.00 1.18 H new ATOM 178 N MET A 13 -4.634 -7.099 7.174 1.00 1.02 N ATOM 179 CA MET A 13 -5.844 -6.930 6.393 1.00 1.26 C ATOM 180 C MET A 13 -6.758 -8.140 6.582 1.00 1.28 C ATOM 181 O MET A 13 -6.469 -9.214 6.053 1.00 1.75 O ATOM 182 CB MET A 13 -5.468 -6.807 4.916 1.00 1.51 C ATOM 183 CG MET A 13 -4.913 -5.427 4.591 1.00 1.11 C ATOM 184 SD MET A 13 -4.273 -5.235 2.909 1.00 1.63 S ATOM 185 CE MET A 13 -5.468 -6.172 1.942 1.00 1.29 C ATOM 0 H MET A 13 -3.781 -7.054 6.617 1.00 1.02 H new ATOM 0 HA MET A 13 -6.367 -6.032 6.722 1.00 1.26 H new ATOM 0 HB2 MET A 13 -4.727 -7.566 4.664 1.00 1.51 H new ATOM 0 HB3 MET A 13 -6.346 -7.001 4.299 1.00 1.51 H new ATOM 0 HG2 MET A 13 -5.699 -4.689 4.751 1.00 1.11 H new ATOM 0 HG3 MET A 13 -4.114 -5.198 5.296 1.00 1.11 H new ATOM 0 HE1 MET A 13 -5.276 -6.020 0.880 1.00 1.29 H new ATOM 0 HE2 MET A 13 -5.377 -7.232 2.179 1.00 1.29 H new ATOM 0 HE3 MET A 13 -6.476 -5.832 2.181 1.00 1.29 H new ATOM 195 N THR A 14 -7.848 -7.944 7.328 1.00 1.05 N ATOM 196 CA THR A 14 -8.848 -8.961 7.627 1.00 1.20 C ATOM 197 C THR A 14 -10.284 -8.408 7.587 1.00 1.21 C ATOM 198 O THR A 14 -11.202 -9.108 8.010 1.00 2.34 O ATOM 199 CB THR A 14 -8.516 -9.580 8.998 1.00 1.39 C ATOM 200 OG1 THR A 14 -9.369 -10.674 9.265 1.00 2.27 O ATOM 201 CG2 THR A 14 -8.627 -8.567 10.146 1.00 1.14 C ATOM 0 H THR A 14 -8.062 -7.042 7.753 1.00 1.05 H new ATOM 0 HA THR A 14 -8.811 -9.729 6.855 1.00 1.20 H new ATOM 0 HB THR A 14 -7.480 -9.914 8.944 1.00 1.39 H new ATOM 0 HG1 THR A 14 -10.286 -10.444 9.007 1.00 2.27 H new ATOM 0 HG21 THR A 14 -8.382 -9.057 11.088 1.00 1.14 H new ATOM 0 HG22 THR A 14 -7.933 -7.744 9.974 1.00 1.14 H new ATOM 0 HG23 THR A 14 -9.645 -8.179 10.192 1.00 1.14 H new ATOM 209 N CYS A 15 -10.503 -7.171 7.117 1.00 0.75 N ATOM 210 CA CYS A 15 -11.809 -6.507 7.174 1.00 0.74 C ATOM 211 C CYS A 15 -11.760 -5.189 6.390 1.00 0.69 C ATOM 212 O CYS A 15 -10.713 -4.544 6.354 1.00 1.02 O ATOM 213 CB CYS A 15 -12.203 -6.245 8.639 1.00 1.10 C ATOM 214 SG CYS A 15 -13.791 -5.384 8.717 1.00 2.23 S ATOM 0 H CYS A 15 -9.774 -6.603 6.685 1.00 0.75 H new ATOM 0 HA CYS A 15 -12.559 -7.156 6.722 1.00 0.74 H new ATOM 0 HB2 CYS A 15 -12.266 -7.189 9.180 1.00 1.10 H new ATOM 0 HB3 CYS A 15 -11.433 -5.648 9.129 1.00 1.10 H new ATOM 0 HG CYS A 15 -14.109 -5.173 9.960 1.00 2.23 H new ATOM 220 N ALA A 16 -12.880 -4.792 5.772 1.00 0.61 N ATOM 221 CA ALA A 16 -13.057 -3.557 5.006 1.00 0.59 C ATOM 222 C ALA A 16 -12.424 -2.331 5.681 1.00 0.68 C ATOM 223 O ALA A 16 -11.867 -1.467 5.010 1.00 1.23 O ATOM 224 CB ALA A 16 -14.552 -3.320 4.781 1.00 0.72 C ATOM 0 H ALA A 16 -13.730 -5.355 5.796 1.00 0.61 H new ATOM 0 HA ALA A 16 -12.540 -3.685 4.055 1.00 0.59 H new ATOM 0 HB1 ALA A 16 -14.693 -2.402 4.211 1.00 0.72 H new ATOM 0 HB2 ALA A 16 -14.974 -4.159 4.228 1.00 0.72 H new ATOM 0 HB3 ALA A 16 -15.055 -3.230 5.744 1.00 0.72 H new ATOM 230 N SER A 17 -12.514 -2.258 7.008 1.00 0.46 N ATOM 231 CA SER A 17 -11.928 -1.187 7.804 1.00 0.51 C ATOM 232 C SER A 17 -10.400 -1.118 7.643 1.00 0.46 C ATOM 233 O SER A 17 -9.873 -0.275 6.927 1.00 0.73 O ATOM 234 CB SER A 17 -12.332 -1.413 9.260 1.00 0.72 C ATOM 235 OG SER A 17 -11.894 -2.690 9.702 1.00 0.82 O ATOM 0 H SER A 17 -13.005 -2.955 7.568 1.00 0.46 H new ATOM 0 HA SER A 17 -12.304 -0.224 7.457 1.00 0.51 H new ATOM 0 HB2 SER A 17 -11.899 -0.635 9.889 1.00 0.72 H new ATOM 0 HB3 SER A 17 -13.415 -1.338 9.360 1.00 0.72 H new ATOM 0 HG SER A 17 -12.539 -3.372 9.421 1.00 0.82 H new ATOM 241 N CYS A 18 -9.671 -2.014 8.308 1.00 0.60 N ATOM 242 CA CYS A 18 -8.227 -2.168 8.195 1.00 0.62 C ATOM 243 C CYS A 18 -7.766 -2.226 6.737 1.00 0.68 C ATOM 244 O CYS A 18 -6.661 -1.785 6.441 1.00 0.98 O ATOM 245 CB CYS A 18 -7.735 -3.389 8.981 1.00 1.05 C ATOM 246 SG CYS A 18 -8.727 -4.849 8.623 1.00 2.09 S ATOM 0 H CYS A 18 -10.088 -2.675 8.963 1.00 0.60 H new ATOM 0 HA CYS A 18 -7.777 -1.279 8.637 1.00 0.62 H new ATOM 0 HB2 CYS A 18 -6.692 -3.587 8.733 1.00 1.05 H new ATOM 0 HB3 CYS A 18 -7.773 -3.175 10.049 1.00 1.05 H new ATOM 0 HG CYS A 18 -9.397 -4.660 7.525 1.00 2.09 H new ATOM 252 N VAL A 19 -8.603 -2.732 5.826 1.00 0.62 N ATOM 253 CA VAL A 19 -8.392 -2.581 4.398 1.00 0.72 C ATOM 254 C VAL A 19 -8.320 -1.091 4.036 1.00 0.74 C ATOM 255 O VAL A 19 -7.239 -0.586 3.734 1.00 0.92 O ATOM 256 CB VAL A 19 -9.478 -3.371 3.647 1.00 0.70 C ATOM 257 CG1 VAL A 19 -9.676 -2.966 2.185 1.00 0.85 C ATOM 258 CG2 VAL A 19 -9.180 -4.871 3.716 1.00 0.85 C ATOM 0 H VAL A 19 -9.444 -3.257 6.066 1.00 0.62 H new ATOM 0 HA VAL A 19 -7.435 -3.001 4.089 1.00 0.72 H new ATOM 0 HB VAL A 19 -10.410 -3.127 4.157 1.00 0.70 H new ATOM 0 HG11 VAL A 19 -10.461 -3.578 1.741 1.00 0.85 H new ATOM 0 HG12 VAL A 19 -9.962 -1.916 2.134 1.00 0.85 H new ATOM 0 HG13 VAL A 19 -8.746 -3.115 1.637 1.00 0.85 H new ATOM 0 HG21 VAL A 19 -9.955 -5.421 3.181 1.00 0.85 H new ATOM 0 HG22 VAL A 19 -8.211 -5.071 3.258 1.00 0.85 H new ATOM 0 HG23 VAL A 19 -9.162 -5.191 4.758 1.00 0.85 H new ATOM 268 N HIS A 20 -9.439 -0.358 4.066 1.00 0.64 N ATOM 269 CA HIS A 20 -9.440 1.005 3.550 1.00 0.78 C ATOM 270 C HIS A 20 -8.612 1.973 4.412 1.00 0.72 C ATOM 271 O HIS A 20 -8.296 3.081 3.987 1.00 0.75 O ATOM 272 CB HIS A 20 -10.846 1.497 3.167 1.00 0.89 C ATOM 273 CG HIS A 20 -11.758 1.994 4.262 1.00 0.81 C ATOM 274 ND1 HIS A 20 -11.484 2.096 5.598 1.00 1.17 N flip ATOM 275 CD2 HIS A 20 -12.969 2.613 4.054 1.00 0.86 C flip ATOM 276 CE1 HIS A 20 -12.537 2.762 6.221 1.00 1.14 C flip ATOM 277 NE2 HIS A 20 -13.405 3.056 5.244 1.00 0.98 N flip ATOM 0 H HIS A 20 -10.334 -0.681 4.434 1.00 0.64 H new ATOM 0 HA HIS A 20 -8.905 0.985 2.601 1.00 0.78 H new ATOM 0 HB2 HIS A 20 -10.729 2.302 2.442 1.00 0.89 H new ATOM 0 HB3 HIS A 20 -11.356 0.680 2.657 1.00 0.89 H new ATOM 0 HD2 HIS A 20 -13.476 2.722 3.107 1.00 0.86 H new ATOM 0 HE1 HIS A 20 -12.633 2.993 7.272 1.00 1.14 H new ATOM 0 HE2 HIS A 20 -14.284 3.553 5.386 1.00 0.98 H new ATOM 285 N LYS A 21 -8.223 1.557 5.622 1.00 0.69 N ATOM 286 CA LYS A 21 -7.307 2.297 6.473 1.00 0.69 C ATOM 287 C LYS A 21 -6.047 2.614 5.660 1.00 0.60 C ATOM 288 O LYS A 21 -5.524 3.725 5.705 1.00 0.67 O ATOM 289 CB LYS A 21 -6.978 1.434 7.704 1.00 0.80 C ATOM 290 CG LYS A 21 -6.234 2.166 8.828 1.00 0.72 C ATOM 291 CD LYS A 21 -5.793 1.140 9.890 1.00 2.41 C ATOM 292 CE LYS A 21 -5.479 1.801 11.242 1.00 2.61 C ATOM 293 NZ LYS A 21 -4.738 0.907 12.162 1.00 4.30 N ATOM 0 H LYS A 21 -8.545 0.683 6.037 1.00 0.69 H new ATOM 0 HA LYS A 21 -7.747 3.233 6.816 1.00 0.69 H new ATOM 0 HB2 LYS A 21 -7.908 1.032 8.106 1.00 0.80 H new ATOM 0 HB3 LYS A 21 -6.375 0.584 7.383 1.00 0.80 H new ATOM 0 HG2 LYS A 21 -5.366 2.689 8.426 1.00 0.72 H new ATOM 0 HG3 LYS A 21 -6.880 2.920 9.278 1.00 0.72 H new ATOM 0 HD2 LYS A 21 -6.580 0.398 10.025 1.00 2.41 H new ATOM 0 HD3 LYS A 21 -4.911 0.608 9.534 1.00 2.41 H new ATOM 0 HE2 LYS A 21 -4.894 2.705 11.072 1.00 2.61 H new ATOM 0 HE3 LYS A 21 -6.411 2.109 11.715 1.00 2.61 H new ATOM 0 HZ1 LYS A 21 -4.495 1.426 13.030 1.00 4.30 H new ATOM 0 HZ2 LYS A 21 -5.332 0.088 12.404 1.00 4.30 H new ATOM 0 HZ3 LYS A 21 -3.866 0.578 11.700 1.00 4.30 H new ATOM 307 N ILE A 22 -5.583 1.617 4.905 1.00 0.51 N ATOM 308 CA ILE A 22 -4.407 1.679 4.059 1.00 0.49 C ATOM 309 C ILE A 22 -4.615 2.724 2.966 1.00 0.50 C ATOM 310 O ILE A 22 -3.855 3.689 2.887 1.00 0.55 O ATOM 311 CB ILE A 22 -4.123 0.276 3.486 1.00 0.45 C ATOM 312 CG1 ILE A 22 -3.865 -0.694 4.646 1.00 0.45 C ATOM 313 CG2 ILE A 22 -2.927 0.316 2.525 1.00 0.49 C ATOM 314 CD1 ILE A 22 -3.913 -2.179 4.296 1.00 0.53 C ATOM 0 H ILE A 22 -6.043 0.707 4.870 1.00 0.51 H new ATOM 0 HA ILE A 22 -3.534 1.986 4.636 1.00 0.49 H new ATOM 0 HB ILE A 22 -4.987 -0.068 2.918 1.00 0.45 H new ATOM 0 HG12 ILE A 22 -2.885 -0.472 5.069 1.00 0.45 H new ATOM 0 HG13 ILE A 22 -4.601 -0.500 5.427 1.00 0.45 H new ATOM 0 HG21 ILE A 22 -2.743 -0.684 2.132 1.00 0.49 H new ATOM 0 HG22 ILE A 22 -3.145 0.996 1.701 1.00 0.49 H new ATOM 0 HG23 ILE A 22 -2.043 0.664 3.059 1.00 0.49 H new ATOM 0 HD11 ILE A 22 -3.717 -2.770 5.190 1.00 0.53 H new ATOM 0 HD12 ILE A 22 -4.899 -2.429 3.905 1.00 0.53 H new ATOM 0 HD13 ILE A 22 -3.157 -2.400 3.542 1.00 0.53 H new ATOM 326 N GLU A 23 -5.629 2.538 2.117 1.00 0.52 N ATOM 327 CA GLU A 23 -5.850 3.447 1.002 1.00 0.59 C ATOM 328 C GLU A 23 -6.070 4.862 1.521 1.00 0.56 C ATOM 329 O GLU A 23 -5.398 5.791 1.075 1.00 0.59 O ATOM 330 CB GLU A 23 -6.944 2.930 0.056 1.00 0.76 C ATOM 331 CG GLU A 23 -8.380 3.052 0.560 1.00 1.91 C ATOM 332 CD GLU A 23 -8.967 4.459 0.503 1.00 3.66 C ATOM 333 OE1 GLU A 23 -8.481 5.251 -0.334 1.00 4.78 O ATOM 334 OE2 GLU A 23 -9.852 4.732 1.342 1.00 4.63 O ATOM 0 H GLU A 23 -6.301 1.773 2.183 1.00 0.52 H new ATOM 0 HA GLU A 23 -4.956 3.488 0.379 1.00 0.59 H new ATOM 0 HB2 GLU A 23 -6.865 3.469 -0.888 1.00 0.76 H new ATOM 0 HB3 GLU A 23 -6.744 1.880 -0.159 1.00 0.76 H new ATOM 0 HG2 GLU A 23 -9.013 2.387 -0.027 1.00 1.91 H new ATOM 0 HG3 GLU A 23 -8.418 2.700 1.591 1.00 1.91 H new ATOM 341 N SER A 24 -6.944 5.023 2.519 1.00 0.64 N ATOM 342 CA SER A 24 -7.226 6.331 3.064 1.00 0.72 C ATOM 343 C SER A 24 -5.931 6.920 3.595 1.00 0.72 C ATOM 344 O SER A 24 -5.626 8.053 3.253 1.00 0.83 O ATOM 345 CB SER A 24 -8.341 6.314 4.111 1.00 0.80 C ATOM 346 OG SER A 24 -8.616 7.649 4.537 1.00 1.18 O ATOM 0 H SER A 24 -7.461 4.260 2.957 1.00 0.64 H new ATOM 0 HA SER A 24 -7.612 6.970 2.270 1.00 0.72 H new ATOM 0 HB2 SER A 24 -9.240 5.862 3.692 1.00 0.80 H new ATOM 0 HB3 SER A 24 -8.044 5.703 4.963 1.00 0.80 H new ATOM 0 HG SER A 24 -8.038 7.876 5.295 1.00 1.18 H new ATOM 352 N SER A 25 -5.149 6.187 4.389 1.00 0.65 N ATOM 353 CA SER A 25 -3.860 6.683 4.851 1.00 0.66 C ATOM 354 C SER A 25 -3.019 7.190 3.684 1.00 0.53 C ATOM 355 O SER A 25 -2.608 8.350 3.672 1.00 0.63 O ATOM 356 CB SER A 25 -3.130 5.605 5.654 1.00 0.77 C ATOM 357 OG SER A 25 -1.879 6.098 6.083 1.00 1.34 O ATOM 0 H SER A 25 -5.388 5.253 4.722 1.00 0.65 H new ATOM 0 HA SER A 25 -4.031 7.531 5.514 1.00 0.66 H new ATOM 0 HB2 SER A 25 -3.730 5.310 6.515 1.00 0.77 H new ATOM 0 HB3 SER A 25 -2.990 4.714 5.042 1.00 0.77 H new ATOM 0 HG SER A 25 -2.016 6.784 6.769 1.00 1.34 H new ATOM 363 N LEU A 26 -2.759 6.340 2.696 1.00 0.44 N ATOM 364 CA LEU A 26 -1.778 6.706 1.694 1.00 0.49 C ATOM 365 C LEU A 26 -2.292 7.831 0.792 1.00 0.51 C ATOM 366 O LEU A 26 -1.542 8.745 0.469 1.00 0.58 O ATOM 367 CB LEU A 26 -1.297 5.496 0.905 1.00 0.57 C ATOM 368 CG LEU A 26 -0.766 4.363 1.792 1.00 0.55 C ATOM 369 CD1 LEU A 26 -0.721 3.083 0.969 1.00 1.62 C ATOM 370 CD2 LEU A 26 0.621 4.678 2.351 1.00 1.80 C ATOM 0 H LEU A 26 -3.198 5.427 2.573 1.00 0.44 H new ATOM 0 HA LEU A 26 -0.905 7.098 2.216 1.00 0.49 H new ATOM 0 HB2 LEU A 26 -2.119 5.117 0.298 1.00 0.57 H new ATOM 0 HB3 LEU A 26 -0.511 5.809 0.218 1.00 0.57 H new ATOM 0 HG LEU A 26 -1.435 4.245 2.645 1.00 0.55 H new ATOM 0 HD11 LEU A 26 -0.345 2.267 1.586 1.00 1.62 H new ATOM 0 HD12 LEU A 26 -1.724 2.841 0.618 1.00 1.62 H new ATOM 0 HD13 LEU A 26 -0.061 3.224 0.113 1.00 1.62 H new ATOM 0 HD21 LEU A 26 0.959 3.850 2.973 1.00 1.80 H new ATOM 0 HD22 LEU A 26 1.321 4.823 1.528 1.00 1.80 H new ATOM 0 HD23 LEU A 26 0.574 5.587 2.951 1.00 1.80 H new ATOM 382 N THR A 27 -3.572 7.828 0.417 1.00 0.55 N ATOM 383 CA THR A 27 -4.145 8.871 -0.435 1.00 0.67 C ATOM 384 C THR A 27 -3.938 10.292 0.127 1.00 0.80 C ATOM 385 O THR A 27 -4.087 11.271 -0.599 1.00 1.35 O ATOM 386 CB THR A 27 -5.629 8.578 -0.707 1.00 0.78 C ATOM 387 OG1 THR A 27 -6.307 8.332 0.505 1.00 2.33 O ATOM 388 CG2 THR A 27 -5.802 7.390 -1.659 1.00 1.71 C ATOM 0 H THR A 27 -4.238 7.106 0.694 1.00 0.55 H new ATOM 0 HA THR A 27 -3.604 8.849 -1.381 1.00 0.67 H new ATOM 0 HB THR A 27 -6.059 9.457 -1.187 1.00 0.78 H new ATOM 0 HG1 THR A 27 -6.151 7.406 0.785 1.00 2.33 H new ATOM 0 HG21 THR A 27 -6.864 7.211 -1.829 1.00 1.71 H new ATOM 0 HG22 THR A 27 -5.315 7.611 -2.609 1.00 1.71 H new ATOM 0 HG23 THR A 27 -5.351 6.501 -1.218 1.00 1.71 H new ATOM 396 N LYS A 28 -3.580 10.424 1.410 1.00 0.77 N ATOM 397 CA LYS A 28 -3.222 11.696 2.022 1.00 0.79 C ATOM 398 C LYS A 28 -1.920 12.243 1.419 1.00 0.65 C ATOM 399 O LYS A 28 -1.773 13.460 1.268 1.00 0.75 O ATOM 400 CB LYS A 28 -3.078 11.523 3.543 1.00 0.91 C ATOM 401 CG LYS A 28 -4.277 10.821 4.200 1.00 1.51 C ATOM 402 CD LYS A 28 -5.560 11.666 4.312 1.00 2.71 C ATOM 403 CE LYS A 28 -6.768 10.826 4.779 1.00 4.08 C ATOM 404 NZ LYS A 28 -7.327 9.954 3.718 1.00 5.38 N ATOM 0 H LYS A 28 -3.532 9.636 2.056 1.00 0.77 H new ATOM 0 HA LYS A 28 -4.016 12.415 1.821 1.00 0.79 H new ATOM 0 HB2 LYS A 28 -2.174 10.950 3.751 1.00 0.91 H new ATOM 0 HB3 LYS A 28 -2.947 12.503 4.001 1.00 0.91 H new ATOM 0 HG2 LYS A 28 -4.505 9.920 3.631 1.00 1.51 H new ATOM 0 HG3 LYS A 28 -3.985 10.501 5.200 1.00 1.51 H new ATOM 0 HD2 LYS A 28 -5.395 12.484 5.013 1.00 2.71 H new ATOM 0 HD3 LYS A 28 -5.784 12.115 3.344 1.00 2.71 H new ATOM 0 HE2 LYS A 28 -6.466 10.208 5.624 1.00 4.08 H new ATOM 0 HE3 LYS A 28 -7.550 11.496 5.137 1.00 4.08 H new ATOM 0 HZ1 LYS A 28 -8.055 9.333 4.126 1.00 5.38 H new ATOM 0 HZ2 LYS A 28 -7.752 10.542 2.973 1.00 5.38 H new ATOM 0 HZ3 LYS A 28 -6.567 9.374 3.309 1.00 5.38 H new ATOM 418 N HIS A 29 -0.945 11.383 1.103 1.00 0.57 N ATOM 419 CA HIS A 29 0.262 11.822 0.419 1.00 0.58 C ATOM 420 C HIS A 29 -0.126 12.205 -1.010 1.00 0.78 C ATOM 421 O HIS A 29 -0.633 11.367 -1.751 1.00 2.15 O ATOM 422 CB HIS A 29 1.350 10.733 0.357 1.00 0.68 C ATOM 423 CG HIS A 29 1.497 9.801 1.535 1.00 0.53 C ATOM 424 ND1 HIS A 29 2.249 10.009 2.672 1.00 1.17 N ATOM 425 CD2 HIS A 29 1.173 8.471 1.512 1.00 0.81 C ATOM 426 CE1 HIS A 29 2.323 8.831 3.324 1.00 0.93 C ATOM 427 NE2 HIS A 29 1.682 7.868 2.656 1.00 0.72 N ATOM 0 H HIS A 29 -0.974 10.385 1.312 1.00 0.57 H new ATOM 0 HA HIS A 29 0.679 12.660 0.977 1.00 0.58 H new ATOM 0 HB2 HIS A 29 1.161 10.124 -0.527 1.00 0.68 H new ATOM 0 HB3 HIS A 29 2.308 11.229 0.204 1.00 0.68 H new ATOM 0 HD1 HIS A 29 2.671 10.890 2.965 1.00 1.17 H new ATOM 0 HD2 HIS A 29 0.614 7.973 0.734 1.00 0.81 H new ATOM 0 HE1 HIS A 29 2.834 8.685 4.264 1.00 0.93 H new ATOM 435 N ARG A 30 0.183 13.425 -1.456 1.00 1.23 N ATOM 436 CA ARG A 30 -0.005 13.810 -2.852 1.00 1.12 C ATOM 437 C ARG A 30 1.151 13.268 -3.705 1.00 1.14 C ATOM 438 O ARG A 30 1.767 14.003 -4.473 1.00 1.79 O ATOM 439 CB ARG A 30 -0.166 15.332 -2.968 1.00 1.25 C ATOM 440 CG ARG A 30 -1.451 15.856 -2.299 1.00 2.09 C ATOM 441 CD ARG A 30 -1.191 16.681 -1.030 1.00 2.94 C ATOM 442 NE ARG A 30 -0.940 15.836 0.152 1.00 4.44 N ATOM 443 CZ ARG A 30 -0.329 16.232 1.280 1.00 5.77 C ATOM 444 NH1 ARG A 30 0.211 17.453 1.378 1.00 5.67 N ATOM 445 NH2 ARG A 30 -0.271 15.389 2.312 1.00 7.56 N ATOM 0 H ARG A 30 0.566 14.164 -0.866 1.00 1.23 H new ATOM 0 HA ARG A 30 -0.924 13.367 -3.236 1.00 1.12 H new ATOM 0 HB2 ARG A 30 0.697 15.818 -2.514 1.00 1.25 H new ATOM 0 HB3 ARG A 30 -0.172 15.612 -4.022 1.00 1.25 H new ATOM 0 HG2 ARG A 30 -1.999 16.469 -3.015 1.00 2.09 H new ATOM 0 HG3 ARG A 30 -2.091 15.010 -2.048 1.00 2.09 H new ATOM 0 HD2 ARG A 30 -0.334 17.334 -1.194 1.00 2.94 H new ATOM 0 HD3 ARG A 30 -2.049 17.324 -0.837 1.00 2.94 H new ATOM 0 HE ARG A 30 -1.258 14.868 0.109 1.00 4.44 H new ATOM 0 HH11 ARG A 30 0.162 18.097 0.589 1.00 5.67 H new ATOM 0 HH12 ARG A 30 0.672 17.739 2.242 1.00 5.67 H new ATOM 0 HH21 ARG A 30 -0.687 14.461 2.236 1.00 7.56 H new ATOM 0 HH22 ARG A 30 0.189 15.673 3.177 1.00 7.56 H new ATOM 459 N GLY A 31 1.469 11.988 -3.509 1.00 0.76 N ATOM 460 CA GLY A 31 2.579 11.274 -4.118 1.00 0.85 C ATOM 461 C GLY A 31 2.165 9.886 -4.614 1.00 0.74 C ATOM 462 O GLY A 31 2.871 9.276 -5.413 1.00 0.89 O ATOM 0 H GLY A 31 0.925 11.393 -2.885 1.00 0.76 H new ATOM 0 HA2 GLY A 31 2.970 11.856 -4.953 1.00 0.85 H new ATOM 0 HA3 GLY A 31 3.387 11.174 -3.393 1.00 0.85 H new ATOM 466 N ILE A 32 1.026 9.373 -4.140 1.00 0.71 N ATOM 467 CA ILE A 32 0.472 8.105 -4.575 1.00 0.63 C ATOM 468 C ILE A 32 -0.725 8.395 -5.481 1.00 0.63 C ATOM 469 O ILE A 32 -1.505 9.304 -5.202 1.00 0.81 O ATOM 470 CB ILE A 32 0.141 7.236 -3.351 1.00 0.66 C ATOM 471 CG1 ILE A 32 -0.459 5.907 -3.818 1.00 1.75 C ATOM 472 CG2 ILE A 32 -0.774 7.923 -2.340 1.00 2.06 C ATOM 473 CD1 ILE A 32 -0.628 4.904 -2.684 1.00 2.56 C ATOM 0 H ILE A 32 0.460 9.841 -3.432 1.00 0.71 H new ATOM 0 HA ILE A 32 1.187 7.526 -5.160 1.00 0.63 H new ATOM 0 HB ILE A 32 1.077 7.058 -2.821 1.00 0.66 H new ATOM 0 HG12 ILE A 32 -1.429 6.094 -4.279 1.00 1.75 H new ATOM 0 HG13 ILE A 32 0.182 5.475 -4.587 1.00 1.75 H new ATOM 0 HG21 ILE A 32 -0.963 7.249 -1.504 1.00 2.06 H new ATOM 0 HG22 ILE A 32 -0.294 8.831 -1.973 1.00 2.06 H new ATOM 0 HG23 ILE A 32 -1.718 8.180 -2.820 1.00 2.06 H new ATOM 0 HD11 ILE A 32 -1.057 3.982 -3.075 1.00 2.56 H new ATOM 0 HD12 ILE A 32 0.344 4.692 -2.238 1.00 2.56 H new ATOM 0 HD13 ILE A 32 -1.292 5.320 -1.926 1.00 2.56 H new ATOM 485 N LEU A 33 -0.847 7.646 -6.578 1.00 0.54 N ATOM 486 CA LEU A 33 -1.907 7.793 -7.563 1.00 0.64 C ATOM 487 C LEU A 33 -3.128 6.985 -7.133 1.00 0.77 C ATOM 488 O LEU A 33 -4.246 7.496 -7.157 1.00 1.01 O ATOM 489 CB LEU A 33 -1.430 7.317 -8.944 1.00 0.78 C ATOM 490 CG LEU A 33 -0.102 7.928 -9.416 1.00 0.87 C ATOM 491 CD1 LEU A 33 0.267 7.300 -10.762 1.00 1.62 C ATOM 492 CD2 LEU A 33 -0.184 9.452 -9.558 1.00 1.13 C ATOM 0 H LEU A 33 -0.190 6.901 -6.808 1.00 0.54 H new ATOM 0 HA LEU A 33 -2.175 8.847 -7.631 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -1.327 6.232 -8.922 1.00 0.78 H new ATOM 0 HB3 LEU A 33 -2.201 7.549 -9.678 1.00 0.78 H new ATOM 0 HG LEU A 33 0.661 7.718 -8.666 1.00 0.87 H new ATOM 0 HD11 LEU A 33 1.208 7.722 -11.114 1.00 1.62 H new ATOM 0 HD12 LEU A 33 0.374 6.222 -10.643 1.00 1.62 H new ATOM 0 HD13 LEU A 33 -0.518 7.509 -11.488 1.00 1.62 H new ATOM 0 HD21 LEU A 33 0.778 9.838 -9.894 1.00 1.13 H new ATOM 0 HD22 LEU A 33 -0.953 9.709 -10.287 1.00 1.13 H new ATOM 0 HD23 LEU A 33 -0.436 9.894 -8.594 1.00 1.13 H new ATOM 504 N TYR A 34 -2.930 5.711 -6.771 1.00 0.67 N ATOM 505 CA TYR A 34 -4.019 4.817 -6.417 1.00 0.77 C ATOM 506 C TYR A 34 -3.529 3.742 -5.454 1.00 0.61 C ATOM 507 O TYR A 34 -2.325 3.517 -5.342 1.00 0.60 O ATOM 508 CB TYR A 34 -4.605 4.183 -7.685 1.00 0.99 C ATOM 509 CG TYR A 34 -6.006 3.658 -7.473 1.00 1.21 C ATOM 510 CD1 TYR A 34 -7.054 4.575 -7.283 1.00 2.73 C ATOM 511 CD2 TYR A 34 -6.219 2.289 -7.232 1.00 1.80 C ATOM 512 CE1 TYR A 34 -8.298 4.132 -6.806 1.00 3.01 C ATOM 513 CE2 TYR A 34 -7.461 1.851 -6.747 1.00 1.97 C ATOM 514 CZ TYR A 34 -8.503 2.770 -6.536 1.00 1.92 C ATOM 515 OH TYR A 34 -9.702 2.346 -6.047 1.00 2.30 O ATOM 0 H TYR A 34 -2.007 5.279 -6.718 1.00 0.67 H new ATOM 0 HA TYR A 34 -4.802 5.389 -5.919 1.00 0.77 H new ATOM 0 HB2 TYR A 34 -4.614 4.922 -8.486 1.00 0.99 H new ATOM 0 HB3 TYR A 34 -3.960 3.367 -8.011 1.00 0.99 H new ATOM 0 HD1 TYR A 34 -6.902 5.621 -7.504 1.00 2.73 H new ATOM 0 HD2 TYR A 34 -5.429 1.577 -7.420 1.00 1.80 H new ATOM 0 HE1 TYR A 34 -9.098 4.840 -6.647 1.00 3.01 H new ATOM 0 HE2 TYR A 34 -7.617 0.803 -6.535 1.00 1.97 H new ATOM 0 HH TYR A 34 -9.677 1.375 -5.917 1.00 2.30 H new ATOM 525 N CYS A 35 -4.466 3.080 -4.768 1.00 0.59 N ATOM 526 CA CYS A 35 -4.182 2.065 -3.766 1.00 0.55 C ATOM 527 C CYS A 35 -5.322 1.047 -3.716 1.00 0.67 C ATOM 528 O CYS A 35 -6.295 1.223 -2.987 1.00 1.31 O ATOM 529 CB CYS A 35 -3.972 2.750 -2.418 1.00 0.64 C ATOM 530 SG CYS A 35 -3.458 1.492 -1.239 1.00 2.07 S ATOM 0 H CYS A 35 -5.464 3.244 -4.902 1.00 0.59 H new ATOM 0 HA CYS A 35 -3.273 1.521 -4.023 1.00 0.55 H new ATOM 0 HB2 CYS A 35 -3.215 3.530 -2.499 1.00 0.64 H new ATOM 0 HB3 CYS A 35 -4.892 3.232 -2.086 1.00 0.64 H new ATOM 0 HG CYS A 35 -3.604 0.314 -1.770 1.00 2.07 H new ATOM 536 N SER A 36 -5.226 -0.010 -4.528 1.00 0.44 N ATOM 537 CA SER A 36 -6.238 -1.059 -4.605 1.00 0.54 C ATOM 538 C SER A 36 -5.929 -2.130 -3.556 1.00 0.46 C ATOM 539 O SER A 36 -5.177 -3.067 -3.830 1.00 0.54 O ATOM 540 CB SER A 36 -6.347 -1.631 -6.032 1.00 0.75 C ATOM 541 OG SER A 36 -7.706 -1.719 -6.415 1.00 1.39 O ATOM 0 H SER A 36 -4.435 -0.160 -5.155 1.00 0.44 H new ATOM 0 HA SER A 36 -7.219 -0.640 -4.382 1.00 0.54 H new ATOM 0 HB2 SER A 36 -5.804 -0.994 -6.730 1.00 0.75 H new ATOM 0 HB3 SER A 36 -5.884 -2.617 -6.074 1.00 0.75 H new ATOM 0 HG SER A 36 -7.767 -2.082 -7.323 1.00 1.39 H new ATOM 547 N VAL A 37 -6.474 -1.969 -2.349 1.00 0.50 N ATOM 548 CA VAL A 37 -6.237 -2.848 -1.211 1.00 0.62 C ATOM 549 C VAL A 37 -7.212 -4.026 -1.270 1.00 0.66 C ATOM 550 O VAL A 37 -8.364 -3.897 -0.860 1.00 0.90 O ATOM 551 CB VAL A 37 -6.365 -2.035 0.096 1.00 1.00 C ATOM 552 CG1 VAL A 37 -5.901 -2.867 1.279 1.00 1.00 C ATOM 553 CG2 VAL A 37 -5.543 -0.750 0.087 1.00 2.43 C ATOM 0 H VAL A 37 -7.110 -1.201 -2.134 1.00 0.50 H new ATOM 0 HA VAL A 37 -5.228 -3.259 -1.242 1.00 0.62 H new ATOM 0 HB VAL A 37 -7.419 -1.771 0.179 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -5.996 -2.283 2.194 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -6.515 -3.764 1.356 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -4.858 -3.152 1.137 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -5.677 -0.226 1.033 1.00 2.43 H new ATOM 0 HG22 VAL A 37 -4.489 -0.993 -0.047 1.00 2.43 H new ATOM 0 HG23 VAL A 37 -5.875 -0.111 -0.732 1.00 2.43 H new ATOM 563 N ALA A 38 -6.767 -5.179 -1.780 1.00 0.63 N ATOM 564 CA ALA A 38 -7.615 -6.330 -2.005 1.00 0.71 C ATOM 565 C ALA A 38 -7.315 -7.408 -0.962 1.00 0.65 C ATOM 566 O ALA A 38 -6.472 -8.280 -1.169 1.00 0.65 O ATOM 567 CB ALA A 38 -7.411 -6.818 -3.437 1.00 0.82 C ATOM 0 H ALA A 38 -5.794 -5.330 -2.048 1.00 0.63 H new ATOM 0 HA ALA A 38 -8.666 -6.067 -1.889 1.00 0.71 H new ATOM 0 HB1 ALA A 38 -8.045 -7.686 -3.619 1.00 0.82 H new ATOM 0 HB2 ALA A 38 -7.675 -6.022 -4.134 1.00 0.82 H new ATOM 0 HB3 ALA A 38 -6.367 -7.095 -3.582 1.00 0.82 H new ATOM 573 N LEU A 39 -8.070 -7.364 0.142 1.00 0.67 N ATOM 574 CA LEU A 39 -8.206 -8.414 1.150 1.00 0.70 C ATOM 575 C LEU A 39 -8.190 -9.801 0.499 1.00 0.67 C ATOM 576 O LEU A 39 -7.491 -10.698 0.954 1.00 0.66 O ATOM 577 CB LEU A 39 -9.529 -8.195 1.909 1.00 0.83 C ATOM 578 CG LEU A 39 -9.547 -8.688 3.368 1.00 1.01 C ATOM 579 CD1 LEU A 39 -10.973 -8.533 3.911 1.00 1.76 C ATOM 580 CD2 LEU A 39 -9.112 -10.148 3.532 1.00 1.63 C ATOM 0 H LEU A 39 -8.635 -6.544 0.366 1.00 0.67 H new ATOM 0 HA LEU A 39 -7.365 -8.364 1.842 1.00 0.70 H new ATOM 0 HB2 LEU A 39 -9.760 -7.130 1.901 1.00 0.83 H new ATOM 0 HB3 LEU A 39 -10.328 -8.698 1.364 1.00 0.83 H new ATOM 0 HG LEU A 39 -8.827 -8.084 3.920 1.00 1.01 H new ATOM 0 HD11 LEU A 39 -11.008 -8.877 4.945 1.00 1.76 H new ATOM 0 HD12 LEU A 39 -11.267 -7.484 3.867 1.00 1.76 H new ATOM 0 HD13 LEU A 39 -11.659 -9.127 3.307 1.00 1.76 H new ATOM 0 HD21 LEU A 39 -9.150 -10.423 4.586 1.00 1.63 H new ATOM 0 HD22 LEU A 39 -9.782 -10.793 2.964 1.00 1.63 H new ATOM 0 HD23 LEU A 39 -8.094 -10.268 3.163 1.00 1.63 H new ATOM 592 N ALA A 40 -8.923 -9.954 -0.609 1.00 0.73 N ATOM 593 CA ALA A 40 -9.090 -11.225 -1.309 1.00 0.81 C ATOM 594 C ALA A 40 -7.752 -11.876 -1.666 1.00 0.82 C ATOM 595 O ALA A 40 -7.666 -13.094 -1.780 1.00 0.94 O ATOM 596 CB ALA A 40 -9.908 -10.996 -2.581 1.00 0.92 C ATOM 0 H ALA A 40 -9.424 -9.182 -1.049 1.00 0.73 H new ATOM 0 HA ALA A 40 -9.611 -11.907 -0.637 1.00 0.81 H new ATOM 0 HB1 ALA A 40 -10.035 -11.942 -3.107 1.00 0.92 H new ATOM 0 HB2 ALA A 40 -10.886 -10.593 -2.317 1.00 0.92 H new ATOM 0 HB3 ALA A 40 -9.387 -10.289 -3.227 1.00 0.92 H new ATOM 602 N THR A 41 -6.724 -11.052 -1.875 1.00 0.74 N ATOM 603 CA THR A 41 -5.383 -11.468 -2.244 1.00 0.76 C ATOM 604 C THR A 41 -4.371 -10.954 -1.210 1.00 0.68 C ATOM 605 O THR A 41 -3.173 -10.966 -1.485 1.00 0.74 O ATOM 606 CB THR A 41 -5.119 -10.990 -3.689 1.00 0.84 C ATOM 607 OG1 THR A 41 -3.776 -11.152 -4.104 1.00 1.17 O ATOM 608 CG2 THR A 41 -5.554 -9.548 -3.933 1.00 1.53 C ATOM 0 H THR A 41 -6.813 -10.040 -1.787 1.00 0.74 H new ATOM 0 HA THR A 41 -5.274 -12.552 -2.235 1.00 0.76 H new ATOM 0 HB THR A 41 -5.741 -11.647 -4.297 1.00 0.84 H new ATOM 0 HG1 THR A 41 -3.186 -11.117 -3.323 1.00 1.17 H new ATOM 0 HG21 THR A 41 -5.341 -9.274 -4.966 1.00 1.53 H new ATOM 0 HG22 THR A 41 -6.624 -9.454 -3.745 1.00 1.53 H new ATOM 0 HG23 THR A 41 -5.008 -8.885 -3.262 1.00 1.53 H new ATOM 616 N ASN A 42 -4.851 -10.514 -0.037 1.00 0.61 N ATOM 617 CA ASN A 42 -4.083 -9.923 1.055 1.00 0.60 C ATOM 618 C ASN A 42 -2.915 -9.078 0.539 1.00 0.57 C ATOM 619 O ASN A 42 -1.752 -9.291 0.884 1.00 0.67 O ATOM 620 CB ASN A 42 -3.705 -10.996 2.092 1.00 0.77 C ATOM 621 CG ASN A 42 -4.638 -10.944 3.297 1.00 1.00 C ATOM 622 OD1 ASN A 42 -5.604 -11.693 3.379 1.00 2.17 O ATOM 623 ND2 ASN A 42 -4.366 -10.043 4.236 1.00 0.98 N ATOM 0 H ASN A 42 -5.846 -10.567 0.182 1.00 0.61 H new ATOM 0 HA ASN A 42 -4.709 -9.209 1.589 1.00 0.60 H new ATOM 0 HB2 ASN A 42 -3.753 -11.983 1.633 1.00 0.77 H new ATOM 0 HB3 ASN A 42 -2.676 -10.845 2.418 1.00 0.77 H new ATOM 0 HD21 ASN A 42 -4.970 -9.961 5.054 1.00 0.98 H new ATOM 0 HD22 ASN A 42 -3.554 -9.434 4.138 1.00 0.98 H new ATOM 630 N LYS A 43 -3.245 -8.110 -0.318 1.00 0.59 N ATOM 631 CA LYS A 43 -2.274 -7.294 -1.025 1.00 0.59 C ATOM 632 C LYS A 43 -2.883 -5.926 -1.279 1.00 0.61 C ATOM 633 O LYS A 43 -4.103 -5.814 -1.410 1.00 0.74 O ATOM 634 CB LYS A 43 -1.859 -8.022 -2.323 1.00 0.63 C ATOM 635 CG LYS A 43 -1.391 -7.154 -3.509 1.00 0.66 C ATOM 636 CD LYS A 43 -2.551 -6.644 -4.390 1.00 0.77 C ATOM 637 CE LYS A 43 -3.070 -7.706 -5.363 1.00 0.80 C ATOM 638 NZ LYS A 43 -2.111 -8.035 -6.434 1.00 1.07 N ATOM 0 H LYS A 43 -4.212 -7.872 -0.539 1.00 0.59 H new ATOM 0 HA LYS A 43 -1.369 -7.144 -0.437 1.00 0.59 H new ATOM 0 HB2 LYS A 43 -1.056 -8.716 -2.077 1.00 0.63 H new ATOM 0 HB3 LYS A 43 -2.706 -8.621 -2.658 1.00 0.63 H new ATOM 0 HG2 LYS A 43 -0.832 -6.300 -3.126 1.00 0.66 H new ATOM 0 HG3 LYS A 43 -0.704 -7.734 -4.125 1.00 0.66 H new ATOM 0 HD2 LYS A 43 -3.369 -6.314 -3.750 1.00 0.77 H new ATOM 0 HD3 LYS A 43 -2.217 -5.773 -4.954 1.00 0.77 H new ATOM 0 HE2 LYS A 43 -3.308 -8.613 -4.807 1.00 0.80 H new ATOM 0 HE3 LYS A 43 -3.999 -7.354 -5.812 1.00 0.80 H new ATOM 0 HZ1 LYS A 43 -2.610 -8.509 -7.213 1.00 1.07 H new ATOM 0 HZ2 LYS A 43 -1.671 -7.161 -6.786 1.00 1.07 H new ATOM 0 HZ3 LYS A 43 -1.375 -8.667 -6.059 1.00 1.07 H new ATOM 652 N ALA A 44 -2.030 -4.908 -1.403 1.00 0.56 N ATOM 653 CA ALA A 44 -2.407 -3.637 -1.987 1.00 0.67 C ATOM 654 C ALA A 44 -1.614 -3.396 -3.266 1.00 0.52 C ATOM 655 O ALA A 44 -0.388 -3.519 -3.288 1.00 0.59 O ATOM 656 CB ALA A 44 -2.283 -2.502 -0.972 1.00 1.10 C ATOM 0 H ALA A 44 -1.058 -4.950 -1.098 1.00 0.56 H new ATOM 0 HA ALA A 44 -3.460 -3.666 -2.266 1.00 0.67 H new ATOM 0 HB1 ALA A 44 -2.573 -1.562 -1.441 1.00 1.10 H new ATOM 0 HB2 ALA A 44 -2.936 -2.701 -0.122 1.00 1.10 H new ATOM 0 HB3 ALA A 44 -1.251 -2.433 -0.628 1.00 1.10 H new ATOM 662 N HIS A 45 -2.354 -3.100 -4.334 1.00 0.47 N ATOM 663 CA HIS A 45 -1.856 -2.634 -5.611 1.00 0.43 C ATOM 664 C HIS A 45 -1.731 -1.124 -5.478 1.00 0.38 C ATOM 665 O HIS A 45 -2.700 -0.400 -5.719 1.00 0.48 O ATOM 666 CB HIS A 45 -2.866 -3.068 -6.685 1.00 0.51 C ATOM 667 CG HIS A 45 -2.440 -2.871 -8.114 1.00 0.57 C ATOM 668 ND1 HIS A 45 -2.352 -3.849 -9.074 1.00 0.86 N ATOM 669 CD2 HIS A 45 -1.885 -1.743 -8.636 1.00 0.53 C ATOM 670 CE1 HIS A 45 -1.795 -3.299 -10.166 1.00 0.84 C ATOM 671 NE2 HIS A 45 -1.510 -2.002 -9.957 1.00 0.67 N ATOM 0 H HIS A 45 -3.370 -3.186 -4.322 1.00 0.47 H new ATOM 0 HA HIS A 45 -0.887 -3.044 -5.896 1.00 0.43 H new ATOM 0 HB2 HIS A 45 -3.091 -4.124 -6.537 1.00 0.51 H new ATOM 0 HB3 HIS A 45 -3.794 -2.519 -6.525 1.00 0.51 H new ATOM 0 HD1 HIS A 45 -2.655 -4.818 -8.976 1.00 0.86 H new ATOM 0 HD2 HIS A 45 -1.756 -0.805 -8.116 1.00 0.53 H new ATOM 0 HE1 HIS A 45 -1.602 -3.828 -11.088 1.00 0.84 H new ATOM 679 N ILE A 46 -0.558 -0.646 -5.064 1.00 0.46 N ATOM 680 CA ILE A 46 -0.280 0.774 -5.057 1.00 0.42 C ATOM 681 C ILE A 46 0.163 1.151 -6.464 1.00 0.49 C ATOM 682 O ILE A 46 0.934 0.435 -7.102 1.00 0.79 O ATOM 683 CB ILE A 46 0.742 1.154 -3.967 1.00 0.42 C ATOM 684 CG1 ILE A 46 0.066 1.246 -2.590 1.00 0.79 C ATOM 685 CG2 ILE A 46 1.399 2.506 -4.275 1.00 0.64 C ATOM 686 CD1 ILE A 46 -0.397 -0.103 -2.058 1.00 1.55 C ATOM 0 H ILE A 46 0.210 -1.229 -4.731 1.00 0.46 H new ATOM 0 HA ILE A 46 -1.172 1.344 -4.797 1.00 0.42 H new ATOM 0 HB ILE A 46 1.501 0.372 -3.954 1.00 0.42 H new ATOM 0 HG12 ILE A 46 0.763 1.690 -1.879 1.00 0.79 H new ATOM 0 HG13 ILE A 46 -0.791 1.916 -2.657 1.00 0.79 H new ATOM 0 HG21 ILE A 46 2.115 2.750 -3.490 1.00 0.64 H new ATOM 0 HG22 ILE A 46 1.916 2.450 -5.233 1.00 0.64 H new ATOM 0 HG23 ILE A 46 0.633 3.281 -4.321 1.00 0.64 H new ATOM 0 HD11 ILE A 46 -0.865 0.032 -1.083 1.00 1.55 H new ATOM 0 HD12 ILE A 46 -1.118 -0.539 -2.750 1.00 1.55 H new ATOM 0 HD13 ILE A 46 0.460 -0.769 -1.960 1.00 1.55 H new ATOM 698 N LYS A 47 -0.336 2.288 -6.936 1.00 0.51 N ATOM 699 CA LYS A 47 0.192 2.996 -8.079 1.00 0.57 C ATOM 700 C LYS A 47 0.707 4.323 -7.530 1.00 0.54 C ATOM 701 O LYS A 47 -0.070 5.069 -6.937 1.00 0.64 O ATOM 702 CB LYS A 47 -0.932 3.222 -9.088 1.00 0.76 C ATOM 703 CG LYS A 47 -1.447 1.952 -9.770 1.00 0.83 C ATOM 704 CD LYS A 47 -0.333 1.174 -10.491 1.00 1.53 C ATOM 705 CE LYS A 47 -0.882 0.493 -11.750 1.00 2.00 C ATOM 706 NZ LYS A 47 -1.032 1.460 -12.854 1.00 2.18 N ATOM 0 H LYS A 47 -1.143 2.750 -6.516 1.00 0.51 H new ATOM 0 HA LYS A 47 0.985 2.448 -8.588 1.00 0.57 H new ATOM 0 HB2 LYS A 47 -1.765 3.708 -8.580 1.00 0.76 H new ATOM 0 HB3 LYS A 47 -0.580 3.912 -9.855 1.00 0.76 H new ATOM 0 HG2 LYS A 47 -1.912 1.307 -9.024 1.00 0.83 H new ATOM 0 HG3 LYS A 47 -2.222 2.219 -10.488 1.00 0.83 H new ATOM 0 HD2 LYS A 47 0.476 1.852 -10.761 1.00 1.53 H new ATOM 0 HD3 LYS A 47 0.089 0.426 -9.820 1.00 1.53 H new ATOM 0 HE2 LYS A 47 -0.211 -0.310 -12.055 1.00 2.00 H new ATOM 0 HE3 LYS A 47 -1.847 0.036 -11.529 1.00 2.00 H new ATOM 0 HZ1 LYS A 47 -1.685 1.075 -13.566 1.00 2.18 H new ATOM 0 HZ2 LYS A 47 -1.412 2.354 -12.483 1.00 2.18 H new ATOM 0 HZ3 LYS A 47 -0.105 1.634 -13.292 1.00 2.18 H new ATOM 720 N TYR A 48 2.005 4.587 -7.672 1.00 0.59 N ATOM 721 CA TYR A 48 2.728 5.751 -7.173 1.00 0.54 C ATOM 722 C TYR A 48 3.760 6.099 -8.243 1.00 0.62 C ATOM 723 O TYR A 48 3.826 5.386 -9.236 1.00 1.06 O ATOM 724 CB TYR A 48 3.392 5.447 -5.818 1.00 0.58 C ATOM 725 CG TYR A 48 4.708 4.684 -5.893 1.00 0.67 C ATOM 726 CD1 TYR A 48 4.759 3.408 -6.483 1.00 1.57 C ATOM 727 CD2 TYR A 48 5.907 5.306 -5.498 1.00 1.79 C ATOM 728 CE1 TYR A 48 5.999 2.819 -6.782 1.00 1.75 C ATOM 729 CE2 TYR A 48 7.134 4.643 -5.653 1.00 1.87 C ATOM 730 CZ TYR A 48 7.185 3.411 -6.322 1.00 1.15 C ATOM 731 OH TYR A 48 8.381 2.783 -6.502 1.00 1.39 O ATOM 0 H TYR A 48 2.620 3.947 -8.174 1.00 0.59 H new ATOM 0 HA TYR A 48 2.058 6.592 -6.995 1.00 0.54 H new ATOM 0 HB2 TYR A 48 3.567 6.389 -5.299 1.00 0.58 H new ATOM 0 HB3 TYR A 48 2.693 4.873 -5.210 1.00 0.58 H new ATOM 0 HD1 TYR A 48 3.844 2.880 -6.706 1.00 1.57 H new ATOM 0 HD2 TYR A 48 5.883 6.299 -5.073 1.00 1.79 H new ATOM 0 HE1 TYR A 48 6.039 1.911 -7.366 1.00 1.75 H new ATOM 0 HE2 TYR A 48 8.039 5.081 -5.257 1.00 1.87 H new ATOM 0 HH TYR A 48 8.346 2.239 -7.316 1.00 1.39 H new ATOM 741 N ASP A 49 4.560 7.153 -8.061 1.00 0.57 N ATOM 742 CA ASP A 49 5.723 7.365 -8.925 1.00 0.79 C ATOM 743 C ASP A 49 6.968 7.675 -8.080 1.00 0.67 C ATOM 744 O ASP A 49 6.878 8.483 -7.151 1.00 0.73 O ATOM 745 CB ASP A 49 5.431 8.429 -9.992 1.00 1.30 C ATOM 746 CG ASP A 49 4.561 7.893 -11.131 1.00 2.51 C ATOM 747 OD1 ASP A 49 4.877 6.795 -11.650 1.00 3.67 O ATOM 748 OD2 ASP A 49 3.593 8.603 -11.474 1.00 3.18 O ATOM 0 H ASP A 49 4.428 7.860 -7.338 1.00 0.57 H new ATOM 0 HA ASP A 49 5.936 6.446 -9.470 1.00 0.79 H new ATOM 0 HB2 ASP A 49 4.931 9.278 -9.526 1.00 1.30 H new ATOM 0 HB3 ASP A 49 6.372 8.797 -10.400 1.00 1.30 H new ATOM 753 N PRO A 50 8.113 7.015 -8.358 1.00 0.72 N ATOM 754 CA PRO A 50 9.295 6.991 -7.498 1.00 0.81 C ATOM 755 C PRO A 50 10.098 8.291 -7.584 1.00 1.04 C ATOM 756 O PRO A 50 11.255 8.296 -7.999 1.00 2.35 O ATOM 757 CB PRO A 50 10.100 5.772 -7.964 1.00 0.85 C ATOM 758 CG PRO A 50 9.799 5.734 -9.460 1.00 0.90 C ATOM 759 CD PRO A 50 8.320 6.114 -9.487 1.00 0.85 C ATOM 0 HA PRO A 50 9.027 6.912 -6.444 1.00 0.81 H new ATOM 0 HB2 PRO A 50 11.166 5.889 -7.767 1.00 0.85 H new ATOM 0 HB3 PRO A 50 9.781 4.858 -7.462 1.00 0.85 H new ATOM 0 HG2 PRO A 50 10.413 6.440 -10.019 1.00 0.90 H new ATOM 0 HG3 PRO A 50 9.976 4.748 -9.888 1.00 0.90 H new ATOM 0 HD2 PRO A 50 8.060 6.601 -10.427 1.00 0.85 H new ATOM 0 HD3 PRO A 50 7.689 5.230 -9.401 1.00 0.85 H new ATOM 767 N GLU A 51 9.481 9.389 -7.153 1.00 0.83 N ATOM 768 CA GLU A 51 10.069 10.721 -7.142 1.00 0.97 C ATOM 769 C GLU A 51 9.220 11.667 -6.292 1.00 1.00 C ATOM 770 O GLU A 51 9.747 12.401 -5.460 1.00 1.37 O ATOM 771 CB GLU A 51 10.272 11.250 -8.572 1.00 1.11 C ATOM 772 CG GLU A 51 9.058 11.101 -9.500 1.00 1.52 C ATOM 773 CD GLU A 51 9.352 11.747 -10.846 1.00 2.45 C ATOM 774 OE1 GLU A 51 9.172 12.982 -10.926 1.00 3.75 O ATOM 775 OE2 GLU A 51 9.778 11.005 -11.755 1.00 2.91 O ATOM 0 H GLU A 51 8.528 9.373 -6.791 1.00 0.83 H new ATOM 0 HA GLU A 51 11.057 10.664 -6.686 1.00 0.97 H new ATOM 0 HB2 GLU A 51 10.541 12.305 -8.518 1.00 1.11 H new ATOM 0 HB3 GLU A 51 11.118 10.728 -9.019 1.00 1.11 H new ATOM 0 HG2 GLU A 51 8.822 10.046 -9.637 1.00 1.52 H new ATOM 0 HG3 GLU A 51 8.183 11.567 -9.046 1.00 1.52 H new ATOM 782 N ILE A 52 7.898 11.619 -6.472 1.00 1.03 N ATOM 783 CA ILE A 52 6.955 12.368 -5.662 1.00 1.25 C ATOM 784 C ILE A 52 6.796 11.678 -4.311 1.00 1.17 C ATOM 785 O ILE A 52 6.508 12.333 -3.312 1.00 1.45 O ATOM 786 CB ILE A 52 5.618 12.568 -6.400 1.00 1.39 C ATOM 787 CG1 ILE A 52 5.010 11.259 -6.937 1.00 2.05 C ATOM 788 CG2 ILE A 52 5.828 13.556 -7.550 1.00 1.72 C ATOM 789 CD1 ILE A 52 3.667 11.476 -7.649 1.00 2.72 C ATOM 0 H ILE A 52 7.455 11.051 -7.194 1.00 1.03 H new ATOM 0 HA ILE A 52 7.341 13.371 -5.481 1.00 1.25 H new ATOM 0 HB ILE A 52 4.905 12.959 -5.674 1.00 1.39 H new ATOM 0 HG12 ILE A 52 5.712 10.794 -7.629 1.00 2.05 H new ATOM 0 HG13 ILE A 52 4.870 10.563 -6.110 1.00 2.05 H new ATOM 0 HG21 ILE A 52 4.886 13.704 -8.079 1.00 1.72 H new ATOM 0 HG22 ILE A 52 6.174 14.510 -7.152 1.00 1.72 H new ATOM 0 HG23 ILE A 52 6.573 13.159 -8.240 1.00 1.72 H new ATOM 0 HD11 ILE A 52 3.286 10.519 -8.006 1.00 2.72 H new ATOM 0 HD12 ILE A 52 2.952 11.914 -6.952 1.00 2.72 H new ATOM 0 HD13 ILE A 52 3.808 12.149 -8.495 1.00 2.72 H new ATOM 801 N ILE A 53 7.016 10.360 -4.274 1.00 0.92 N ATOM 802 CA ILE A 53 7.145 9.615 -3.040 1.00 0.69 C ATOM 803 C ILE A 53 7.978 8.368 -3.333 1.00 1.12 C ATOM 804 O ILE A 53 7.961 7.887 -4.465 1.00 2.62 O ATOM 805 CB ILE A 53 5.740 9.304 -2.501 1.00 0.53 C ATOM 806 CG1 ILE A 53 5.833 9.033 -1.006 1.00 0.79 C ATOM 807 CG2 ILE A 53 5.049 8.172 -3.265 1.00 0.94 C ATOM 808 CD1 ILE A 53 4.465 8.853 -0.345 1.00 1.27 C ATOM 0 H ILE A 53 7.109 9.785 -5.112 1.00 0.92 H new ATOM 0 HA ILE A 53 7.659 10.180 -2.262 1.00 0.69 H new ATOM 0 HB ILE A 53 5.103 10.174 -2.662 1.00 0.53 H new ATOM 0 HG12 ILE A 53 6.431 8.137 -0.841 1.00 0.79 H new ATOM 0 HG13 ILE A 53 6.357 9.859 -0.525 1.00 0.79 H new ATOM 0 HG21 ILE A 53 4.061 7.997 -2.840 1.00 0.94 H new ATOM 0 HG22 ILE A 53 4.949 8.449 -4.314 1.00 0.94 H new ATOM 0 HG23 ILE A 53 5.645 7.263 -3.185 1.00 0.94 H new ATOM 0 HD11 ILE A 53 4.598 8.663 0.720 1.00 1.27 H new ATOM 0 HD12 ILE A 53 3.873 9.758 -0.481 1.00 1.27 H new ATOM 0 HD13 ILE A 53 3.948 8.010 -0.803 1.00 1.27 H new ATOM 820 N GLY A 54 8.723 7.857 -2.354 1.00 0.63 N ATOM 821 CA GLY A 54 9.437 6.598 -2.493 1.00 0.61 C ATOM 822 C GLY A 54 8.543 5.429 -2.067 1.00 0.63 C ATOM 823 O GLY A 54 7.492 5.627 -1.455 1.00 0.75 O ATOM 0 H GLY A 54 8.846 8.306 -1.446 1.00 0.63 H new ATOM 0 HA2 GLY A 54 9.754 6.464 -3.527 1.00 0.61 H new ATOM 0 HA3 GLY A 54 10.340 6.615 -1.883 1.00 0.61 H new ATOM 827 N PRO A 55 8.930 4.187 -2.395 1.00 0.63 N ATOM 828 CA PRO A 55 8.158 3.012 -2.035 1.00 0.74 C ATOM 829 C PRO A 55 8.232 2.764 -0.525 1.00 0.76 C ATOM 830 O PRO A 55 7.209 2.554 0.125 1.00 0.73 O ATOM 831 CB PRO A 55 8.763 1.865 -2.850 1.00 0.93 C ATOM 832 CG PRO A 55 10.207 2.304 -3.101 1.00 0.82 C ATOM 833 CD PRO A 55 10.111 3.831 -3.166 1.00 0.65 C ATOM 0 HA PRO A 55 7.097 3.122 -2.259 1.00 0.74 H new ATOM 0 HB2 PRO A 55 8.722 0.923 -2.303 1.00 0.93 H new ATOM 0 HB3 PRO A 55 8.224 1.714 -3.785 1.00 0.93 H new ATOM 0 HG2 PRO A 55 10.871 1.977 -2.300 1.00 0.82 H new ATOM 0 HG3 PRO A 55 10.598 1.887 -4.029 1.00 0.82 H new ATOM 0 HD2 PRO A 55 11.004 4.297 -2.750 1.00 0.65 H new ATOM 0 HD3 PRO A 55 10.023 4.174 -4.197 1.00 0.65 H new ATOM 841 N ARG A 56 9.444 2.787 0.041 1.00 0.88 N ATOM 842 CA ARG A 56 9.663 2.515 1.458 1.00 1.08 C ATOM 843 C ARG A 56 8.844 3.467 2.341 1.00 0.86 C ATOM 844 O ARG A 56 8.477 3.108 3.453 1.00 0.78 O ATOM 845 CB ARG A 56 11.171 2.529 1.776 1.00 1.52 C ATOM 846 CG ARG A 56 11.520 2.235 3.247 1.00 2.24 C ATOM 847 CD ARG A 56 11.163 0.819 3.734 1.00 4.01 C ATOM 848 NE ARG A 56 11.197 0.733 5.208 1.00 5.11 N ATOM 849 CZ ARG A 56 10.548 -0.181 5.952 1.00 6.72 C ATOM 850 NH1 ARG A 56 9.999 -1.255 5.385 1.00 7.60 N ATOM 851 NH2 ARG A 56 10.437 0.003 7.266 1.00 7.87 N ATOM 0 H ARG A 56 10.299 2.995 -0.475 1.00 0.88 H new ATOM 0 HA ARG A 56 9.301 1.514 1.691 1.00 1.08 H new ATOM 0 HB2 ARG A 56 11.669 1.793 1.144 1.00 1.52 H new ATOM 0 HB3 ARG A 56 11.576 3.505 1.508 1.00 1.52 H new ATOM 0 HG2 ARG A 56 12.589 2.392 3.389 1.00 2.24 H new ATOM 0 HG3 ARG A 56 11.005 2.960 3.878 1.00 2.24 H new ATOM 0 HD2 ARG A 56 10.170 0.548 3.375 1.00 4.01 H new ATOM 0 HD3 ARG A 56 11.863 0.099 3.310 1.00 4.01 H new ATOM 0 HE ARG A 56 11.760 1.425 5.704 1.00 5.11 H new ATOM 0 HH11 ARG A 56 10.068 -1.391 4.376 1.00 7.60 H new ATOM 0 HH12 ARG A 56 9.510 -1.941 5.960 1.00 7.60 H new ATOM 0 HH21 ARG A 56 10.842 0.832 7.701 1.00 7.87 H new ATOM 0 HH22 ARG A 56 9.947 -0.685 7.838 1.00 7.87 H new ATOM 865 N ASP A 57 8.540 4.664 1.848 1.00 0.85 N ATOM 866 CA ASP A 57 7.704 5.669 2.483 1.00 0.79 C ATOM 867 C ASP A 57 6.302 5.088 2.704 1.00 0.61 C ATOM 868 O ASP A 57 5.783 5.048 3.824 1.00 0.59 O ATOM 869 CB ASP A 57 7.607 6.938 1.603 1.00 0.88 C ATOM 870 CG ASP A 57 8.840 7.363 0.798 1.00 2.37 C ATOM 871 OD1 ASP A 57 9.753 6.529 0.598 1.00 3.70 O ATOM 872 OD2 ASP A 57 8.806 8.506 0.293 1.00 3.07 O ATOM 0 H ASP A 57 8.893 4.973 0.942 1.00 0.85 H new ATOM 0 HA ASP A 57 8.149 5.946 3.438 1.00 0.79 H new ATOM 0 HB2 ASP A 57 6.786 6.793 0.901 1.00 0.88 H new ATOM 0 HB3 ASP A 57 7.330 7.770 2.250 1.00 0.88 H new ATOM 877 N ILE A 58 5.691 4.613 1.611 1.00 0.52 N ATOM 878 CA ILE A 58 4.413 3.917 1.652 1.00 0.43 C ATOM 879 C ILE A 58 4.537 2.725 2.599 1.00 0.42 C ATOM 880 O ILE A 58 3.683 2.539 3.463 1.00 0.39 O ATOM 881 CB ILE A 58 3.963 3.524 0.226 1.00 0.45 C ATOM 882 CG1 ILE A 58 3.314 4.711 -0.506 1.00 0.58 C ATOM 883 CG2 ILE A 58 2.986 2.346 0.223 1.00 0.45 C ATOM 884 CD1 ILE A 58 3.893 4.869 -1.912 1.00 0.69 C ATOM 0 H ILE A 58 6.077 4.705 0.672 1.00 0.52 H new ATOM 0 HA ILE A 58 3.630 4.569 2.039 1.00 0.43 H new ATOM 0 HB ILE A 58 4.870 3.222 -0.298 1.00 0.45 H new ATOM 0 HG12 ILE A 58 2.236 4.560 -0.567 1.00 0.58 H new ATOM 0 HG13 ILE A 58 3.476 5.627 0.063 1.00 0.58 H new ATOM 0 HG21 ILE A 58 2.702 2.111 -0.803 1.00 0.45 H new ATOM 0 HG22 ILE A 58 3.463 1.477 0.675 1.00 0.45 H new ATOM 0 HG23 ILE A 58 2.096 2.610 0.794 1.00 0.45 H new ATOM 0 HD11 ILE A 58 3.418 5.715 -2.408 1.00 0.69 H new ATOM 0 HD12 ILE A 58 4.967 5.044 -1.846 1.00 0.69 H new ATOM 0 HD13 ILE A 58 3.708 3.961 -2.486 1.00 0.69 H new ATOM 896 N ILE A 59 5.605 1.934 2.465 1.00 0.48 N ATOM 897 CA ILE A 59 5.804 0.781 3.343 1.00 0.52 C ATOM 898 C ILE A 59 5.795 1.206 4.822 1.00 0.52 C ATOM 899 O ILE A 59 5.053 0.628 5.607 1.00 0.50 O ATOM 900 CB ILE A 59 7.070 -0.021 2.987 1.00 0.66 C ATOM 901 CG1 ILE A 59 7.130 -0.503 1.525 1.00 0.73 C ATOM 902 CG2 ILE A 59 7.209 -1.223 3.927 1.00 0.91 C ATOM 903 CD1 ILE A 59 6.253 -1.722 1.241 1.00 1.99 C ATOM 0 H ILE A 59 6.336 2.069 1.766 1.00 0.48 H new ATOM 0 HA ILE A 59 4.962 0.108 3.182 1.00 0.52 H new ATOM 0 HB ILE A 59 7.902 0.672 3.112 1.00 0.66 H new ATOM 0 HG12 ILE A 59 6.825 0.313 0.870 1.00 0.73 H new ATOM 0 HG13 ILE A 59 8.163 -0.744 1.274 1.00 0.73 H new ATOM 0 HG21 ILE A 59 8.107 -1.785 3.669 1.00 0.91 H new ATOM 0 HG22 ILE A 59 7.284 -0.873 4.957 1.00 0.91 H new ATOM 0 HG23 ILE A 59 6.336 -1.867 3.825 1.00 0.91 H new ATOM 0 HD11 ILE A 59 6.348 -2.002 0.192 1.00 1.99 H new ATOM 0 HD12 ILE A 59 6.572 -2.554 1.869 1.00 1.99 H new ATOM 0 HD13 ILE A 59 5.213 -1.481 1.459 1.00 1.99 H new ATOM 915 N HIS A 60 6.582 2.217 5.211 1.00 0.59 N ATOM 916 CA HIS A 60 6.638 2.733 6.572 1.00 0.65 C ATOM 917 C HIS A 60 5.241 3.106 7.024 1.00 0.57 C ATOM 918 O HIS A 60 4.836 2.772 8.133 1.00 0.57 O ATOM 919 CB HIS A 60 7.529 3.985 6.656 1.00 0.78 C ATOM 920 CG HIS A 60 9.004 3.704 6.670 1.00 1.41 C ATOM 921 ND1 HIS A 60 9.973 4.371 5.957 1.00 2.44 N ATOM 922 CD2 HIS A 60 9.633 2.820 7.497 1.00 1.47 C ATOM 923 CE1 HIS A 60 11.162 3.865 6.332 1.00 3.06 C ATOM 924 NE2 HIS A 60 11.006 2.875 7.231 1.00 2.50 N ATOM 0 H HIS A 60 7.208 2.705 4.570 1.00 0.59 H new ATOM 0 HA HIS A 60 7.058 1.957 7.212 1.00 0.65 H new ATOM 0 HB2 HIS A 60 7.304 4.632 5.808 1.00 0.78 H new ATOM 0 HB3 HIS A 60 7.270 4.539 7.558 1.00 0.78 H new ATOM 0 HD1 HIS A 60 9.819 5.111 5.272 1.00 2.44 H new ATOM 0 HD2 HIS A 60 9.154 2.187 8.230 1.00 1.47 H new ATOM 0 HE1 HIS A 60 12.116 4.208 5.961 1.00 3.06 H new ATOM 932 N THR A 61 4.512 3.814 6.166 1.00 0.53 N ATOM 933 CA THR A 61 3.152 4.204 6.471 1.00 0.52 C ATOM 934 C THR A 61 2.305 2.949 6.751 1.00 0.41 C ATOM 935 O THR A 61 1.661 2.858 7.790 1.00 0.43 O ATOM 936 CB THR A 61 2.635 5.119 5.352 1.00 0.62 C ATOM 937 OG1 THR A 61 3.570 6.162 5.142 1.00 0.80 O ATOM 938 CG2 THR A 61 1.293 5.752 5.720 1.00 0.71 C ATOM 0 H THR A 61 4.847 4.126 5.255 1.00 0.53 H new ATOM 0 HA THR A 61 3.088 4.794 7.386 1.00 0.52 H new ATOM 0 HB THR A 61 2.505 4.514 4.455 1.00 0.62 H new ATOM 0 HG1 THR A 61 4.283 5.848 4.548 1.00 0.80 H new ATOM 0 HG21 THR A 61 0.957 6.393 4.905 1.00 0.71 H new ATOM 0 HG22 THR A 61 0.556 4.968 5.892 1.00 0.71 H new ATOM 0 HG23 THR A 61 1.408 6.347 6.626 1.00 0.71 H new ATOM 946 N ILE A 62 2.347 1.944 5.875 1.00 0.36 N ATOM 947 CA ILE A 62 1.607 0.696 6.048 1.00 0.36 C ATOM 948 C ILE A 62 1.979 -0.011 7.364 1.00 0.40 C ATOM 949 O ILE A 62 1.089 -0.366 8.145 1.00 0.40 O ATOM 950 CB ILE A 62 1.819 -0.186 4.804 1.00 0.38 C ATOM 951 CG1 ILE A 62 1.116 0.455 3.596 1.00 0.40 C ATOM 952 CG2 ILE A 62 1.271 -1.601 5.020 1.00 0.48 C ATOM 953 CD1 ILE A 62 1.600 -0.137 2.272 1.00 0.79 C ATOM 0 H ILE A 62 2.901 1.975 5.019 1.00 0.36 H new ATOM 0 HA ILE A 62 0.542 0.910 6.134 1.00 0.36 H new ATOM 0 HB ILE A 62 2.891 -0.261 4.620 1.00 0.38 H new ATOM 0 HG12 ILE A 62 0.039 0.312 3.685 1.00 0.40 H new ATOM 0 HG13 ILE A 62 1.296 1.530 3.600 1.00 0.40 H new ATOM 0 HG21 ILE A 62 1.437 -2.197 4.122 1.00 0.48 H new ATOM 0 HG22 ILE A 62 1.783 -2.065 5.863 1.00 0.48 H new ATOM 0 HG23 ILE A 62 0.202 -1.549 5.228 1.00 0.48 H new ATOM 0 HD11 ILE A 62 1.077 0.344 1.445 1.00 0.79 H new ATOM 0 HD12 ILE A 62 2.672 0.029 2.169 1.00 0.79 H new ATOM 0 HD13 ILE A 62 1.396 -1.208 2.256 1.00 0.79 H new ATOM 965 N GLU A 63 3.278 -0.219 7.606 1.00 0.49 N ATOM 966 CA GLU A 63 3.807 -0.787 8.843 1.00 0.67 C ATOM 967 C GLU A 63 3.226 -0.026 10.036 1.00 0.59 C ATOM 968 O GLU A 63 2.583 -0.603 10.909 1.00 0.62 O ATOM 969 CB GLU A 63 5.348 -0.720 8.831 1.00 0.95 C ATOM 970 CG GLU A 63 5.990 -1.684 7.817 1.00 1.33 C ATOM 971 CD GLU A 63 7.502 -1.500 7.682 1.00 2.07 C ATOM 972 OE1 GLU A 63 8.063 -0.551 8.272 1.00 2.54 O ATOM 973 OE2 GLU A 63 8.126 -2.284 6.934 1.00 3.13 O ATOM 0 H GLU A 63 4.005 0.010 6.928 1.00 0.49 H new ATOM 0 HA GLU A 63 3.518 -1.834 8.927 1.00 0.67 H new ATOM 0 HB2 GLU A 63 5.659 0.299 8.601 1.00 0.95 H new ATOM 0 HB3 GLU A 63 5.723 -0.950 9.828 1.00 0.95 H new ATOM 0 HG2 GLU A 63 5.781 -2.710 8.119 1.00 1.33 H new ATOM 0 HG3 GLU A 63 5.525 -1.538 6.842 1.00 1.33 H new ATOM 980 N SER A 64 3.440 1.288 10.033 1.00 0.57 N ATOM 981 CA SER A 64 3.006 2.221 11.059 1.00 0.58 C ATOM 982 C SER A 64 1.505 2.079 11.345 1.00 0.51 C ATOM 983 O SER A 64 1.106 1.922 12.497 1.00 0.77 O ATOM 984 CB SER A 64 3.419 3.636 10.620 1.00 0.64 C ATOM 985 OG SER A 64 3.008 4.607 11.561 1.00 0.80 O ATOM 0 H SER A 64 3.946 1.749 9.276 1.00 0.57 H new ATOM 0 HA SER A 64 3.491 2.002 12.010 1.00 0.58 H new ATOM 0 HB2 SER A 64 4.501 3.680 10.498 1.00 0.64 H new ATOM 0 HB3 SER A 64 2.980 3.860 9.648 1.00 0.64 H new ATOM 0 HG SER A 64 3.286 5.496 11.256 1.00 0.80 H new ATOM 991 N LEU A 65 0.657 2.116 10.312 1.00 0.49 N ATOM 992 CA LEU A 65 -0.782 1.992 10.506 1.00 0.52 C ATOM 993 C LEU A 65 -1.169 0.607 11.015 1.00 0.65 C ATOM 994 O LEU A 65 -2.119 0.504 11.798 1.00 1.19 O ATOM 995 CB LEU A 65 -1.573 2.295 9.224 1.00 0.80 C ATOM 996 CG LEU A 65 -1.881 3.776 8.949 1.00 0.97 C ATOM 997 CD1 LEU A 65 -2.451 4.549 10.143 1.00 2.96 C ATOM 998 CD2 LEU A 65 -0.672 4.532 8.419 1.00 2.31 C ATOM 0 H LEU A 65 0.945 2.230 9.340 1.00 0.49 H new ATOM 0 HA LEU A 65 -1.042 2.736 11.259 1.00 0.52 H new ATOM 0 HB2 LEU A 65 -1.015 1.898 8.376 1.00 0.80 H new ATOM 0 HB3 LEU A 65 -2.517 1.751 9.267 1.00 0.80 H new ATOM 0 HG LEU A 65 -2.659 3.728 8.187 1.00 0.97 H new ATOM 0 HD11 LEU A 65 -2.636 5.583 9.852 1.00 2.96 H new ATOM 0 HD12 LEU A 65 -3.386 4.089 10.461 1.00 2.96 H new ATOM 0 HD13 LEU A 65 -1.737 4.526 10.966 1.00 2.96 H new ATOM 0 HD21 LEU A 65 -0.943 5.573 8.241 1.00 2.31 H new ATOM 0 HD22 LEU A 65 0.135 4.487 9.151 1.00 2.31 H new ATOM 0 HD23 LEU A 65 -0.340 4.079 7.485 1.00 2.31 H new ATOM 1010 N GLY A 66 -0.560 -0.458 10.492 1.00 0.75 N ATOM 1011 CA GLY A 66 -0.864 -1.794 10.984 1.00 0.88 C ATOM 1012 C GLY A 66 0.193 -2.843 10.666 1.00 0.96 C ATOM 1013 O GLY A 66 0.501 -3.691 11.499 1.00 1.50 O ATOM 0 H GLY A 66 0.132 -0.421 9.744 1.00 0.75 H new ATOM 0 HA2 GLY A 66 -0.997 -1.747 12.065 1.00 0.88 H new ATOM 0 HA3 GLY A 66 -1.815 -2.115 10.560 1.00 0.88 H new ATOM 1017 N PHE A 67 0.584 -2.911 9.393 1.00 0.85 N ATOM 1018 CA PHE A 67 0.565 -4.205 8.715 1.00 0.64 C ATOM 1019 C PHE A 67 1.952 -4.760 8.409 1.00 0.79 C ATOM 1020 O PHE A 67 2.850 -4.010 8.032 1.00 1.43 O ATOM 1021 CB PHE A 67 -0.240 -4.065 7.426 1.00 0.63 C ATOM 1022 CG PHE A 67 -1.618 -3.464 7.618 1.00 0.59 C ATOM 1023 CD1 PHE A 67 -2.655 -4.295 8.061 1.00 1.75 C ATOM 1024 CD2 PHE A 67 -1.830 -2.076 7.519 1.00 1.92 C ATOM 1025 CE1 PHE A 67 -3.880 -3.747 8.466 1.00 1.75 C ATOM 1026 CE2 PHE A 67 -3.070 -1.526 7.889 1.00 1.88 C ATOM 1027 CZ PHE A 67 -4.090 -2.360 8.378 1.00 0.48 C ATOM 0 H PHE A 67 0.904 -2.122 8.831 1.00 0.85 H new ATOM 0 HA PHE A 67 0.103 -4.922 9.394 1.00 0.64 H new ATOM 0 HB2 PHE A 67 0.320 -3.445 6.726 1.00 0.63 H new ATOM 0 HB3 PHE A 67 -0.345 -5.048 6.968 1.00 0.63 H new ATOM 0 HD1 PHE A 67 -2.510 -5.365 8.091 1.00 1.75 H new ATOM 0 HD2 PHE A 67 -1.040 -1.433 7.159 1.00 1.92 H new ATOM 0 HE1 PHE A 67 -4.661 -4.389 8.845 1.00 1.75 H new ATOM 0 HE2 PHE A 67 -3.239 -0.463 7.797 1.00 1.88 H new ATOM 0 HZ PHE A 67 -5.034 -1.936 8.686 1.00 0.48 H new ATOM 1037 N GLU A 68 2.117 -6.086 8.481 1.00 0.59 N ATOM 1038 CA GLU A 68 3.412 -6.728 8.279 1.00 0.89 C ATOM 1039 C GLU A 68 3.684 -6.861 6.776 1.00 0.94 C ATOM 1040 O GLU A 68 3.800 -7.969 6.250 1.00 1.97 O ATOM 1041 CB GLU A 68 3.396 -8.110 8.940 1.00 1.30 C ATOM 1042 CG GLU A 68 2.957 -8.126 10.408 1.00 2.74 C ATOM 1043 CD GLU A 68 2.827 -9.566 10.889 1.00 3.58 C ATOM 1044 OE1 GLU A 68 2.069 -10.309 10.226 1.00 4.28 O ATOM 1045 OE2 GLU A 68 3.505 -9.903 11.882 1.00 4.28 O ATOM 0 H GLU A 68 1.358 -6.738 8.680 1.00 0.59 H new ATOM 0 HA GLU A 68 4.202 -6.126 8.729 1.00 0.89 H new ATOM 0 HB2 GLU A 68 2.730 -8.759 8.371 1.00 1.30 H new ATOM 0 HB3 GLU A 68 4.396 -8.539 8.872 1.00 1.30 H new ATOM 0 HG2 GLU A 68 3.683 -7.592 11.021 1.00 2.74 H new ATOM 0 HG3 GLU A 68 2.004 -7.608 10.518 1.00 2.74 H new ATOM 1052 N ALA A 69 3.716 -5.740 6.060 1.00 0.91 N ATOM 1053 CA ALA A 69 3.670 -5.755 4.607 1.00 0.93 C ATOM 1054 C ALA A 69 5.024 -6.077 3.978 1.00 0.88 C ATOM 1055 O ALA A 69 6.050 -6.093 4.654 1.00 1.18 O ATOM 1056 CB ALA A 69 3.117 -4.422 4.106 1.00 1.25 C ATOM 0 H ALA A 69 3.774 -4.807 6.468 1.00 0.91 H new ATOM 0 HA ALA A 69 3.004 -6.560 4.296 1.00 0.93 H new ATOM 0 HB1 ALA A 69 3.081 -4.429 3.017 1.00 1.25 H new ATOM 0 HB2 ALA A 69 2.112 -4.273 4.501 1.00 1.25 H new ATOM 0 HB3 ALA A 69 3.763 -3.611 4.442 1.00 1.25 H new ATOM 1062 N SER A 70 5.022 -6.345 2.669 1.00 0.69 N ATOM 1063 CA SER A 70 6.232 -6.543 1.888 1.00 0.81 C ATOM 1064 C SER A 70 5.936 -6.211 0.430 1.00 0.85 C ATOM 1065 O SER A 70 4.944 -6.697 -0.111 1.00 0.85 O ATOM 1066 CB SER A 70 6.703 -7.998 2.008 1.00 0.86 C ATOM 1067 OG SER A 70 8.111 -8.051 1.894 1.00 1.88 O ATOM 0 H SER A 70 4.166 -6.430 2.121 1.00 0.69 H new ATOM 0 HA SER A 70 7.021 -5.891 2.262 1.00 0.81 H new ATOM 0 HB2 SER A 70 6.390 -8.415 2.965 1.00 0.86 H new ATOM 0 HB3 SER A 70 6.242 -8.606 1.229 1.00 0.86 H new ATOM 0 HG SER A 70 8.411 -8.981 1.973 1.00 1.88 H new ATOM 1073 N LEU A 71 6.787 -5.414 -0.219 1.00 0.96 N ATOM 1074 CA LEU A 71 6.729 -5.259 -1.666 1.00 0.94 C ATOM 1075 C LEU A 71 6.970 -6.618 -2.318 1.00 0.93 C ATOM 1076 O LEU A 71 7.900 -7.328 -1.936 1.00 1.37 O ATOM 1077 CB LEU A 71 7.696 -4.171 -2.157 1.00 1.18 C ATOM 1078 CG LEU A 71 9.159 -4.328 -1.698 1.00 1.17 C ATOM 1079 CD1 LEU A 71 10.101 -4.029 -2.870 1.00 1.92 C ATOM 1080 CD2 LEU A 71 9.486 -3.370 -0.545 1.00 2.31 C ATOM 0 H LEU A 71 7.520 -4.870 0.236 1.00 0.96 H new ATOM 0 HA LEU A 71 5.738 -4.914 -1.962 1.00 0.94 H new ATOM 0 HB2 LEU A 71 7.675 -4.155 -3.247 1.00 1.18 H new ATOM 0 HB3 LEU A 71 7.329 -3.203 -1.817 1.00 1.18 H new ATOM 0 HG LEU A 71 9.294 -5.353 -1.352 1.00 1.17 H new ATOM 0 HD11 LEU A 71 11.135 -4.141 -2.543 1.00 1.92 H new ATOM 0 HD12 LEU A 71 9.901 -4.725 -3.685 1.00 1.92 H new ATOM 0 HD13 LEU A 71 9.938 -3.008 -3.217 1.00 1.92 H new ATOM 0 HD21 LEU A 71 10.525 -3.505 -0.244 1.00 2.31 H new ATOM 0 HD22 LEU A 71 9.333 -2.341 -0.872 1.00 2.31 H new ATOM 0 HD23 LEU A 71 8.832 -3.582 0.301 1.00 2.31 H new ATOM 1092 N VAL A 72 6.114 -7.015 -3.263 1.00 0.85 N ATOM 1093 CA VAL A 72 6.334 -8.274 -3.957 1.00 0.84 C ATOM 1094 C VAL A 72 7.505 -8.089 -4.933 1.00 1.51 C ATOM 1095 O VAL A 72 7.977 -6.970 -5.133 1.00 2.82 O ATOM 1096 CB VAL A 72 5.055 -8.763 -4.658 1.00 1.33 C ATOM 1097 CG1 VAL A 72 3.815 -8.605 -3.776 1.00 2.44 C ATOM 1098 CG2 VAL A 72 4.844 -8.099 -6.021 1.00 2.39 C ATOM 0 H VAL A 72 5.286 -6.496 -3.555 1.00 0.85 H new ATOM 0 HA VAL A 72 6.591 -9.054 -3.240 1.00 0.84 H new ATOM 0 HB VAL A 72 5.201 -9.829 -4.835 1.00 1.33 H new ATOM 0 HG11 VAL A 72 2.938 -8.964 -4.314 1.00 2.44 H new ATOM 0 HG12 VAL A 72 3.942 -9.185 -2.862 1.00 2.44 H new ATOM 0 HG13 VAL A 72 3.680 -7.553 -3.522 1.00 2.44 H new ATOM 0 HG21 VAL A 72 3.928 -8.479 -6.473 1.00 2.39 H new ATOM 0 HG22 VAL A 72 4.764 -7.020 -5.891 1.00 2.39 H new ATOM 0 HG23 VAL A 72 5.690 -8.325 -6.670 1.00 2.39 H new