USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 SER OG : rot -37:sc= 0.973 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -177:sc= 1.25 (180deg=-0.0115) USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= 0.239 USER MOD Set 2.2: A 17 SER OG : rot 115:sc= 0.424 USER MOD Set 2.3: A 18 CYS SG : rot -104:sc= -0.0201 USER MOD Single : A 13 MET CE :methyl 176:sc= -4.41 (180deg=-4.54) USER MOD Single : A 14 THR OG1 : rot -37:sc= 0.86 USER MOD Single : A 20 HIS : no HD1:sc= -0.743 X(o=-0.74,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 1.04 (180deg=0.976) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 7:sc= 1.24 USER MOD Single : A 29 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-4.4) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 39:sc= 1.02 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 51:sc= 0.57 USER MOD Single : A 42 ASN : amide:sc= 0.8 K(o=0.8,f=-6.7!) USER MOD Single : A 43 LYS NZ :NH3+ 139:sc= 0.939 (180deg=-3.81!) USER MOD Single : A 45 HIS : no HE2:sc= -1.04 X(o=-1,f=-0.73) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.7!) USER MOD Single : A 61 THR OG1 : rot 77:sc= 1.17 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 46 N VAL A 5 -9.185 -1.995 -6.209 1.00 0.94 N ATOM 47 CA VAL A 5 -8.327 -0.822 -6.154 1.00 0.84 C ATOM 48 C VAL A 5 -8.713 -0.037 -4.906 1.00 0.86 C ATOM 49 O VAL A 5 -9.889 0.265 -4.709 1.00 1.27 O ATOM 50 CB VAL A 5 -8.495 0.051 -7.416 1.00 1.13 C ATOM 51 CG1 VAL A 5 -7.500 1.220 -7.390 1.00 2.20 C ATOM 52 CG2 VAL A 5 -8.271 -0.749 -8.704 1.00 2.43 C ATOM 0 HA VAL A 5 -7.280 -1.123 -6.114 1.00 0.84 H new ATOM 0 HB VAL A 5 -9.520 0.421 -7.409 1.00 1.13 H new ATOM 0 HG11 VAL A 5 -7.629 1.828 -8.286 1.00 2.20 H new ATOM 0 HG12 VAL A 5 -7.681 1.832 -6.507 1.00 2.20 H new ATOM 0 HG13 VAL A 5 -6.482 0.831 -7.359 1.00 2.20 H new ATOM 0 HG21 VAL A 5 -8.399 -0.094 -9.566 1.00 2.43 H new ATOM 0 HG22 VAL A 5 -7.261 -1.159 -8.707 1.00 2.43 H new ATOM 0 HG23 VAL A 5 -8.993 -1.564 -8.756 1.00 2.43 H new ATOM 62 N LEU A 6 -7.727 0.307 -4.079 1.00 0.65 N ATOM 63 CA LEU A 6 -7.840 1.268 -3.004 1.00 0.68 C ATOM 64 C LEU A 6 -6.532 2.045 -3.050 1.00 0.60 C ATOM 65 O LEU A 6 -5.497 1.448 -3.366 1.00 0.65 O ATOM 66 CB LEU A 6 -8.006 0.506 -1.685 1.00 0.79 C ATOM 67 CG LEU A 6 -7.904 1.373 -0.424 1.00 1.71 C ATOM 68 CD1 LEU A 6 -9.030 2.410 -0.339 1.00 3.11 C ATOM 69 CD2 LEU A 6 -7.964 0.464 0.809 1.00 2.08 C ATOM 0 H LEU A 6 -6.793 -0.098 -4.150 1.00 0.65 H new ATOM 0 HA LEU A 6 -8.694 1.939 -3.094 1.00 0.68 H new ATOM 0 HB2 LEU A 6 -8.976 0.008 -1.689 1.00 0.79 H new ATOM 0 HB3 LEU A 6 -7.247 -0.275 -1.635 1.00 0.79 H new ATOM 0 HG LEU A 6 -6.959 1.915 -0.466 1.00 1.71 H new ATOM 0 HD11 LEU A 6 -8.914 2.999 0.571 1.00 3.11 H new ATOM 0 HD12 LEU A 6 -8.984 3.069 -1.206 1.00 3.11 H new ATOM 0 HD13 LEU A 6 -9.993 1.900 -0.321 1.00 3.11 H new ATOM 0 HD21 LEU A 6 -7.892 1.070 1.712 1.00 2.08 H new ATOM 0 HD22 LEU A 6 -8.907 -0.082 0.813 1.00 2.08 H new ATOM 0 HD23 LEU A 6 -7.135 -0.243 0.780 1.00 2.08 H new ATOM 81 N GLU A 7 -6.577 3.346 -2.751 1.00 0.61 N ATOM 82 CA GLU A 7 -5.385 4.155 -2.584 1.00 0.59 C ATOM 83 C GLU A 7 -5.295 4.667 -1.157 1.00 0.58 C ATOM 84 O GLU A 7 -6.296 5.064 -0.561 1.00 0.93 O ATOM 85 CB GLU A 7 -5.307 5.317 -3.575 1.00 0.69 C ATOM 86 CG GLU A 7 -5.503 4.894 -5.034 1.00 0.72 C ATOM 87 CD GLU A 7 -5.039 6.003 -5.961 1.00 1.27 C ATOM 88 OE1 GLU A 7 -5.423 7.177 -5.742 1.00 2.20 O ATOM 89 OE2 GLU A 7 -4.174 5.735 -6.824 1.00 2.52 O ATOM 0 H GLU A 7 -7.447 3.861 -2.619 1.00 0.61 H new ATOM 0 HA GLU A 7 -4.533 3.509 -2.795 1.00 0.59 H new ATOM 0 HB2 GLU A 7 -6.065 6.056 -3.315 1.00 0.69 H new ATOM 0 HB3 GLU A 7 -4.338 5.805 -3.474 1.00 0.69 H new ATOM 0 HG2 GLU A 7 -4.942 3.981 -5.236 1.00 0.72 H new ATOM 0 HG3 GLU A 7 -6.554 4.670 -5.219 1.00 0.72 H new ATOM 96 N LEU A 8 -4.071 4.659 -0.640 1.00 0.45 N ATOM 97 CA LEU A 8 -3.727 5.096 0.688 1.00 0.50 C ATOM 98 C LEU A 8 -2.582 6.095 0.532 1.00 0.51 C ATOM 99 O LEU A 8 -1.567 5.803 -0.104 1.00 0.51 O ATOM 100 CB LEU A 8 -3.400 3.898 1.599 1.00 0.62 C ATOM 101 CG LEU A 8 -2.527 2.800 0.961 1.00 0.95 C ATOM 102 CD1 LEU A 8 -1.787 2.027 2.057 1.00 1.16 C ATOM 103 CD2 LEU A 8 -3.342 1.767 0.165 1.00 1.59 C ATOM 0 H LEU A 8 -3.262 4.331 -1.168 1.00 0.45 H new ATOM 0 HA LEU A 8 -4.561 5.589 1.188 1.00 0.50 H new ATOM 0 HB2 LEU A 8 -2.894 4.269 2.490 1.00 0.62 H new ATOM 0 HB3 LEU A 8 -4.336 3.448 1.929 1.00 0.62 H new ATOM 0 HG LEU A 8 -1.847 3.314 0.282 1.00 0.95 H new ATOM 0 HD11 LEU A 8 -1.171 1.251 1.602 1.00 1.16 H new ATOM 0 HD12 LEU A 8 -1.152 2.712 2.620 1.00 1.16 H new ATOM 0 HD13 LEU A 8 -2.511 1.567 2.730 1.00 1.16 H new ATOM 0 HD21 LEU A 8 -2.669 1.021 -0.259 1.00 1.59 H new ATOM 0 HD22 LEU A 8 -4.055 1.277 0.828 1.00 1.59 H new ATOM 0 HD23 LEU A 8 -3.880 2.269 -0.639 1.00 1.59 H new ATOM 115 N VAL A 9 -2.783 7.296 1.068 1.00 0.61 N ATOM 116 CA VAL A 9 -1.778 8.335 1.134 1.00 0.66 C ATOM 117 C VAL A 9 -0.895 7.955 2.318 1.00 0.67 C ATOM 118 O VAL A 9 -1.330 8.017 3.467 1.00 0.79 O ATOM 119 CB VAL A 9 -2.449 9.711 1.282 1.00 0.80 C ATOM 120 CG1 VAL A 9 -1.395 10.819 1.393 1.00 0.96 C ATOM 121 CG2 VAL A 9 -3.342 10.001 0.068 1.00 1.21 C ATOM 0 H VAL A 9 -3.675 7.573 1.477 1.00 0.61 H new ATOM 0 HA VAL A 9 -1.175 8.414 0.230 1.00 0.66 H new ATOM 0 HB VAL A 9 -3.052 9.692 2.190 1.00 0.80 H new ATOM 0 HG11 VAL A 9 -1.891 11.784 1.497 1.00 0.96 H new ATOM 0 HG12 VAL A 9 -0.767 10.638 2.265 1.00 0.96 H new ATOM 0 HG13 VAL A 9 -0.776 10.824 0.496 1.00 0.96 H new ATOM 0 HG21 VAL A 9 -3.811 10.978 0.186 1.00 1.21 H new ATOM 0 HG22 VAL A 9 -2.737 9.996 -0.838 1.00 1.21 H new ATOM 0 HG23 VAL A 9 -4.114 9.235 -0.007 1.00 1.21 H new ATOM 131 N VAL A 10 0.312 7.481 2.025 1.00 0.62 N ATOM 132 CA VAL A 10 1.215 6.890 2.985 1.00 0.63 C ATOM 133 C VAL A 10 2.213 7.956 3.421 1.00 0.61 C ATOM 134 O VAL A 10 3.200 8.211 2.730 1.00 0.75 O ATOM 135 CB VAL A 10 1.866 5.633 2.388 1.00 0.58 C ATOM 136 CG1 VAL A 10 0.896 4.452 2.453 1.00 0.79 C ATOM 137 CG2 VAL A 10 2.292 5.779 0.928 1.00 0.67 C ATOM 0 H VAL A 10 0.693 7.502 1.079 1.00 0.62 H new ATOM 0 HA VAL A 10 0.688 6.552 3.877 1.00 0.63 H new ATOM 0 HB VAL A 10 2.760 5.470 2.990 1.00 0.58 H new ATOM 0 HG11 VAL A 10 1.370 3.568 2.027 1.00 0.79 H new ATOM 0 HG12 VAL A 10 0.630 4.256 3.492 1.00 0.79 H new ATOM 0 HG13 VAL A 10 -0.005 4.689 1.887 1.00 0.79 H new ATOM 0 HG21 VAL A 10 2.742 4.847 0.585 1.00 0.67 H new ATOM 0 HG22 VAL A 10 1.420 6.008 0.316 1.00 0.67 H new ATOM 0 HG23 VAL A 10 3.019 6.587 0.840 1.00 0.67 H new ATOM 147 N ARG A 11 1.967 8.597 4.565 1.00 0.54 N ATOM 148 CA ARG A 11 2.878 9.633 5.024 1.00 0.53 C ATOM 149 C ARG A 11 4.113 8.956 5.616 1.00 0.48 C ATOM 150 O ARG A 11 4.037 7.838 6.130 1.00 0.69 O ATOM 151 CB ARG A 11 2.218 10.581 6.037 1.00 0.74 C ATOM 152 CG ARG A 11 0.914 11.237 5.558 1.00 1.30 C ATOM 153 CD ARG A 11 1.024 11.939 4.199 1.00 2.97 C ATOM 154 NE ARG A 11 2.179 12.849 4.126 1.00 4.58 N ATOM 155 CZ ARG A 11 2.669 13.317 2.968 1.00 6.66 C ATOM 156 NH1 ARG A 11 1.926 13.266 1.861 1.00 7.53 N ATOM 157 NH2 ARG A 11 3.911 13.803 2.888 1.00 8.24 N ATOM 0 H ARG A 11 1.167 8.421 5.172 1.00 0.54 H new ATOM 0 HA ARG A 11 3.165 10.257 4.177 1.00 0.53 H new ATOM 0 HB2 ARG A 11 2.013 10.025 6.952 1.00 0.74 H new ATOM 0 HB3 ARG A 11 2.929 11.366 6.294 1.00 0.74 H new ATOM 0 HG2 ARG A 11 0.138 10.474 5.498 1.00 1.30 H new ATOM 0 HG3 ARG A 11 0.591 11.963 6.304 1.00 1.30 H new ATOM 0 HD2 ARG A 11 1.106 11.189 3.412 1.00 2.97 H new ATOM 0 HD3 ARG A 11 0.110 12.502 4.009 1.00 2.97 H new ATOM 0 HE ARG A 11 2.627 13.137 4.996 1.00 4.58 H new ATOM 0 HH11 ARG A 11 0.986 12.871 1.895 1.00 7.53 H new ATOM 0 HH12 ARG A 11 2.298 13.622 0.980 1.00 7.53 H new ATOM 0 HH21 ARG A 11 4.505 13.823 3.717 1.00 8.24 H new ATOM 0 HH22 ARG A 11 4.265 14.154 1.998 1.00 8.24 H new ATOM 171 N GLY A 12 5.263 9.617 5.462 1.00 0.53 N ATOM 172 CA GLY A 12 6.559 9.113 5.876 1.00 0.55 C ATOM 173 C GLY A 12 7.422 8.759 4.665 1.00 0.55 C ATOM 174 O GLY A 12 8.567 9.198 4.586 1.00 0.82 O ATOM 0 H GLY A 12 5.311 10.541 5.034 1.00 0.53 H new ATOM 0 HA2 GLY A 12 7.068 9.862 6.483 1.00 0.55 H new ATOM 0 HA3 GLY A 12 6.427 8.231 6.503 1.00 0.55 H new ATOM 178 N MET A 13 6.899 7.970 3.719 1.00 0.52 N ATOM 179 CA MET A 13 7.726 7.443 2.645 1.00 0.67 C ATOM 180 C MET A 13 7.959 8.523 1.585 1.00 1.02 C ATOM 181 O MET A 13 7.017 9.223 1.203 1.00 1.42 O ATOM 182 CB MET A 13 7.110 6.148 2.104 1.00 1.12 C ATOM 183 CG MET A 13 5.920 6.330 1.171 1.00 0.87 C ATOM 184 SD MET A 13 6.385 6.423 -0.576 1.00 1.12 S ATOM 185 CE MET A 13 4.728 6.608 -1.232 1.00 1.40 C ATOM 0 H MET A 13 5.919 7.689 3.681 1.00 0.52 H new ATOM 0 HA MET A 13 8.715 7.174 3.016 1.00 0.67 H new ATOM 0 HB2 MET A 13 7.883 5.591 1.574 1.00 1.12 H new ATOM 0 HB3 MET A 13 6.797 5.534 2.949 1.00 1.12 H new ATOM 0 HG2 MET A 13 5.227 5.500 1.311 1.00 0.87 H new ATOM 0 HG3 MET A 13 5.387 7.240 1.447 1.00 0.87 H new ATOM 0 HE1 MET A 13 4.778 6.757 -2.311 1.00 1.40 H new ATOM 0 HE2 MET A 13 4.149 5.710 -1.016 1.00 1.40 H new ATOM 0 HE3 MET A 13 4.247 7.470 -0.769 1.00 1.40 H new ATOM 195 N THR A 14 9.213 8.708 1.158 1.00 1.03 N ATOM 196 CA THR A 14 9.583 9.892 0.389 1.00 1.37 C ATOM 197 C THR A 14 10.832 9.719 -0.489 1.00 1.00 C ATOM 198 O THR A 14 11.324 10.724 -1.004 1.00 1.00 O ATOM 199 CB THR A 14 9.700 11.095 1.348 1.00 1.93 C ATOM 200 OG1 THR A 14 9.847 12.297 0.621 1.00 2.76 O ATOM 201 CG2 THR A 14 10.865 10.946 2.335 1.00 1.95 C ATOM 0 H THR A 14 9.979 8.058 1.332 1.00 1.03 H new ATOM 0 HA THR A 14 8.787 10.073 -0.334 1.00 1.37 H new ATOM 0 HB THR A 14 8.776 11.125 1.926 1.00 1.93 H new ATOM 0 HG1 THR A 14 10.404 12.136 -0.169 1.00 2.76 H new ATOM 0 HG21 THR A 14 10.903 11.819 2.987 1.00 1.95 H new ATOM 0 HG22 THR A 14 10.719 10.049 2.937 1.00 1.95 H new ATOM 0 HG23 THR A 14 11.801 10.864 1.783 1.00 1.95 H new ATOM 209 N CYS A 15 11.337 8.499 -0.709 1.00 0.90 N ATOM 210 CA CYS A 15 12.443 8.271 -1.632 1.00 0.78 C ATOM 211 C CYS A 15 12.498 6.799 -2.034 1.00 0.62 C ATOM 212 O CYS A 15 11.862 5.954 -1.401 1.00 0.55 O ATOM 213 CB CYS A 15 13.774 8.759 -1.036 1.00 0.87 C ATOM 214 SG CYS A 15 14.140 8.243 0.663 1.00 1.18 S ATOM 0 H CYS A 15 10.991 7.654 -0.255 1.00 0.90 H new ATOM 0 HA CYS A 15 12.272 8.856 -2.536 1.00 0.78 H new ATOM 0 HB2 CYS A 15 14.583 8.412 -1.679 1.00 0.87 H new ATOM 0 HB3 CYS A 15 13.784 9.848 -1.071 1.00 0.87 H new ATOM 0 HG CYS A 15 15.291 8.727 1.025 1.00 1.18 H new ATOM 219 N ALA A 16 13.255 6.506 -3.098 1.00 0.66 N ATOM 220 CA ALA A 16 13.412 5.176 -3.680 1.00 0.71 C ATOM 221 C ALA A 16 13.654 4.113 -2.608 1.00 0.65 C ATOM 222 O ALA A 16 13.053 3.039 -2.646 1.00 0.74 O ATOM 223 CB ALA A 16 14.561 5.194 -4.693 1.00 0.82 C ATOM 0 H ALA A 16 13.793 7.218 -3.592 1.00 0.66 H new ATOM 0 HA ALA A 16 12.484 4.913 -4.188 1.00 0.71 H new ATOM 0 HB1 ALA A 16 14.678 4.201 -5.128 1.00 0.82 H new ATOM 0 HB2 ALA A 16 14.339 5.912 -5.483 1.00 0.82 H new ATOM 0 HB3 ALA A 16 15.485 5.482 -4.191 1.00 0.82 H new ATOM 229 N SER A 17 14.524 4.453 -1.651 1.00 0.60 N ATOM 230 CA SER A 17 14.813 3.734 -0.423 1.00 0.76 C ATOM 231 C SER A 17 13.557 3.111 0.189 1.00 0.72 C ATOM 232 O SER A 17 13.540 1.939 0.558 1.00 1.02 O ATOM 233 CB SER A 17 15.443 4.749 0.540 1.00 0.98 C ATOM 234 OG SER A 17 16.246 5.659 -0.199 1.00 2.13 O ATOM 0 H SER A 17 15.082 5.303 -1.728 1.00 0.60 H new ATOM 0 HA SER A 17 15.489 2.903 -0.625 1.00 0.76 H new ATOM 0 HB2 SER A 17 14.664 5.288 1.080 1.00 0.98 H new ATOM 0 HB3 SER A 17 16.049 4.234 1.285 1.00 0.98 H new ATOM 0 HG SER A 17 15.862 6.559 -0.137 1.00 2.13 H new ATOM 240 N CYS A 18 12.506 3.921 0.328 1.00 0.49 N ATOM 241 CA CYS A 18 11.211 3.448 0.757 1.00 0.54 C ATOM 242 C CYS A 18 10.556 2.636 -0.352 1.00 0.79 C ATOM 243 O CYS A 18 10.160 1.496 -0.125 1.00 1.12 O ATOM 244 CB CYS A 18 10.326 4.628 1.150 1.00 0.62 C ATOM 245 SG CYS A 18 11.093 5.810 2.287 1.00 0.79 S ATOM 0 H CYS A 18 12.540 4.924 0.143 1.00 0.49 H new ATOM 0 HA CYS A 18 11.339 2.805 1.628 1.00 0.54 H new ATOM 0 HB2 CYS A 18 10.028 5.157 0.245 1.00 0.62 H new ATOM 0 HB3 CYS A 18 9.415 4.243 1.609 1.00 0.62 H new ATOM 0 HG CYS A 18 10.612 5.637 3.482 1.00 0.79 H new ATOM 250 N VAL A 19 10.408 3.243 -1.533 1.00 0.66 N ATOM 251 CA VAL A 19 9.538 2.755 -2.598 1.00 0.68 C ATOM 252 C VAL A 19 9.776 1.272 -2.810 1.00 0.73 C ATOM 253 O VAL A 19 8.856 0.460 -2.741 1.00 0.80 O ATOM 254 CB VAL A 19 9.785 3.532 -3.904 1.00 0.63 C ATOM 255 CG1 VAL A 19 8.964 2.995 -5.085 1.00 0.72 C ATOM 256 CG2 VAL A 19 9.440 5.008 -3.714 1.00 0.62 C ATOM 0 H VAL A 19 10.900 4.103 -1.777 1.00 0.66 H new ATOM 0 HA VAL A 19 8.500 2.912 -2.305 1.00 0.68 H new ATOM 0 HB VAL A 19 10.842 3.404 -4.137 1.00 0.63 H new ATOM 0 HG11 VAL A 19 9.181 3.583 -5.977 1.00 0.72 H new ATOM 0 HG12 VAL A 19 9.225 1.952 -5.266 1.00 0.72 H new ATOM 0 HG13 VAL A 19 7.902 3.068 -4.852 1.00 0.72 H new ATOM 0 HG21 VAL A 19 9.619 5.546 -4.645 1.00 0.62 H new ATOM 0 HG22 VAL A 19 8.390 5.103 -3.436 1.00 0.62 H new ATOM 0 HG23 VAL A 19 10.064 5.429 -2.926 1.00 0.62 H new ATOM 266 N HIS A 20 11.038 0.924 -3.049 1.00 0.73 N ATOM 267 CA HIS A 20 11.387 -0.434 -3.376 1.00 0.82 C ATOM 268 C HIS A 20 11.126 -1.387 -2.205 1.00 0.83 C ATOM 269 O HIS A 20 10.735 -2.533 -2.430 1.00 0.86 O ATOM 270 CB HIS A 20 12.797 -0.455 -3.970 1.00 0.87 C ATOM 271 CG HIS A 20 13.943 0.151 -3.194 1.00 0.80 C ATOM 272 ND1 HIS A 20 14.992 0.833 -3.770 1.00 0.94 N ATOM 273 CD2 HIS A 20 14.243 -0.001 -1.865 1.00 0.76 C ATOM 274 CE1 HIS A 20 15.897 1.085 -2.810 1.00 1.03 C ATOM 275 NE2 HIS A 20 15.491 0.583 -1.636 1.00 0.90 N ATOM 0 H HIS A 20 11.826 1.570 -3.020 1.00 0.73 H new ATOM 0 HA HIS A 20 10.732 -0.830 -4.152 1.00 0.82 H new ATOM 0 HB2 HIS A 20 13.052 -1.496 -4.168 1.00 0.87 H new ATOM 0 HB3 HIS A 20 12.752 0.051 -4.934 1.00 0.87 H new ATOM 0 HD2 HIS A 20 13.624 -0.487 -1.125 1.00 0.76 H new ATOM 0 HE1 HIS A 20 16.824 1.618 -2.963 1.00 1.03 H new ATOM 0 HE2 HIS A 20 15.994 0.620 -0.750 1.00 0.90 H new ATOM 283 N LYS A 21 11.305 -0.929 -0.960 1.00 0.87 N ATOM 284 CA LYS A 21 11.077 -1.765 0.207 1.00 1.05 C ATOM 285 C LYS A 21 9.579 -1.987 0.370 1.00 0.92 C ATOM 286 O LYS A 21 9.158 -3.106 0.664 1.00 0.90 O ATOM 287 CB LYS A 21 11.816 -1.249 1.461 1.00 1.53 C ATOM 288 CG LYS A 21 11.002 -0.416 2.463 1.00 1.14 C ATOM 289 CD LYS A 21 11.939 0.105 3.567 1.00 1.60 C ATOM 290 CE LYS A 21 11.233 1.024 4.578 1.00 2.84 C ATOM 291 NZ LYS A 21 10.245 0.314 5.414 1.00 3.84 N ATOM 0 H LYS A 21 11.608 0.020 -0.743 1.00 0.87 H new ATOM 0 HA LYS A 21 11.525 -2.747 0.058 1.00 1.05 H new ATOM 0 HB2 LYS A 21 12.224 -2.110 1.990 1.00 1.53 H new ATOM 0 HB3 LYS A 21 12.663 -0.647 1.130 1.00 1.53 H new ATOM 0 HG2 LYS A 21 10.521 0.419 1.954 1.00 1.14 H new ATOM 0 HG3 LYS A 21 10.209 -1.023 2.899 1.00 1.14 H new ATOM 0 HD2 LYS A 21 12.372 -0.743 4.097 1.00 1.60 H new ATOM 0 HD3 LYS A 21 12.765 0.648 3.107 1.00 1.60 H new ATOM 0 HE2 LYS A 21 11.980 1.487 5.223 1.00 2.84 H new ATOM 0 HE3 LYS A 21 10.733 1.830 4.040 1.00 2.84 H new ATOM 0 HZ1 LYS A 21 9.840 0.974 6.109 1.00 3.84 H new ATOM 0 HZ2 LYS A 21 9.486 -0.062 4.811 1.00 3.84 H new ATOM 0 HZ3 LYS A 21 10.712 -0.470 5.913 1.00 3.84 H new ATOM 305 N ILE A 22 8.776 -0.938 0.146 1.00 0.89 N ATOM 306 CA ILE A 22 7.333 -1.085 0.096 1.00 0.83 C ATOM 307 C ILE A 22 6.996 -2.109 -0.979 1.00 0.81 C ATOM 308 O ILE A 22 6.514 -3.178 -0.629 1.00 0.89 O ATOM 309 CB ILE A 22 6.575 0.241 -0.111 1.00 0.87 C ATOM 310 CG1 ILE A 22 6.912 1.250 0.990 1.00 0.89 C ATOM 311 CG2 ILE A 22 5.067 -0.063 -0.100 1.00 0.95 C ATOM 312 CD1 ILE A 22 6.275 2.629 0.811 1.00 1.07 C ATOM 0 H ILE A 22 9.109 0.015 -0.002 1.00 0.89 H new ATOM 0 HA ILE A 22 6.993 -1.435 1.071 1.00 0.83 H new ATOM 0 HB ILE A 22 6.872 0.682 -1.063 1.00 0.87 H new ATOM 0 HG12 ILE A 22 6.595 0.840 1.949 1.00 0.89 H new ATOM 0 HG13 ILE A 22 7.995 1.368 1.036 1.00 0.89 H new ATOM 0 HG21 ILE A 22 4.508 0.862 -0.245 1.00 0.95 H new ATOM 0 HG22 ILE A 22 4.830 -0.760 -0.904 1.00 0.95 H new ATOM 0 HG23 ILE A 22 4.792 -0.507 0.857 1.00 0.95 H new ATOM 0 HD11 ILE A 22 6.570 3.276 1.637 1.00 1.07 H new ATOM 0 HD12 ILE A 22 6.611 3.066 -0.129 1.00 1.07 H new ATOM 0 HD13 ILE A 22 5.190 2.529 0.797 1.00 1.07 H new ATOM 324 N GLU A 23 7.249 -1.820 -2.261 1.00 0.74 N ATOM 325 CA GLU A 23 6.813 -2.711 -3.327 1.00 0.77 C ATOM 326 C GLU A 23 7.264 -4.145 -3.057 1.00 0.77 C ATOM 327 O GLU A 23 6.424 -5.034 -2.944 1.00 0.77 O ATOM 328 CB GLU A 23 7.255 -2.211 -4.709 1.00 0.91 C ATOM 329 CG GLU A 23 6.628 -0.839 -5.007 1.00 1.05 C ATOM 330 CD GLU A 23 6.110 -0.675 -6.434 1.00 1.54 C ATOM 331 OE1 GLU A 23 5.496 -1.645 -6.932 1.00 2.93 O ATOM 332 OE2 GLU A 23 6.274 0.439 -6.976 1.00 2.07 O ATOM 0 H GLU A 23 7.746 -0.987 -2.576 1.00 0.74 H new ATOM 0 HA GLU A 23 5.723 -2.709 -3.337 1.00 0.77 H new ATOM 0 HB2 GLU A 23 8.342 -2.137 -4.746 1.00 0.91 H new ATOM 0 HB3 GLU A 23 6.958 -2.928 -5.474 1.00 0.91 H new ATOM 0 HG2 GLU A 23 5.804 -0.672 -4.314 1.00 1.05 H new ATOM 0 HG3 GLU A 23 7.370 -0.065 -4.812 1.00 1.05 H new ATOM 339 N SER A 24 8.571 -4.351 -2.865 1.00 0.80 N ATOM 340 CA SER A 24 9.124 -5.666 -2.572 1.00 0.84 C ATOM 341 C SER A 24 8.371 -6.338 -1.419 1.00 0.78 C ATOM 342 O SER A 24 7.918 -7.478 -1.540 1.00 0.80 O ATOM 343 CB SER A 24 10.622 -5.539 -2.258 1.00 0.90 C ATOM 344 OG SER A 24 11.200 -6.809 -2.026 1.00 1.97 O ATOM 0 H SER A 24 9.269 -3.609 -2.909 1.00 0.80 H new ATOM 0 HA SER A 24 9.003 -6.301 -3.449 1.00 0.84 H new ATOM 0 HB2 SER A 24 11.131 -5.050 -3.088 1.00 0.90 H new ATOM 0 HB3 SER A 24 10.761 -4.906 -1.381 1.00 0.90 H new ATOM 0 HG SER A 24 12.154 -6.703 -1.830 1.00 1.97 H new ATOM 350 N SER A 25 8.268 -5.657 -0.275 1.00 0.78 N ATOM 351 CA SER A 25 7.690 -6.250 0.917 1.00 0.81 C ATOM 352 C SER A 25 6.173 -6.428 0.851 1.00 0.73 C ATOM 353 O SER A 25 5.638 -7.320 1.504 1.00 0.87 O ATOM 354 CB SER A 25 8.197 -5.541 2.171 1.00 1.16 C ATOM 355 OG SER A 25 8.200 -6.467 3.249 1.00 1.60 O ATOM 0 H SER A 25 8.580 -4.693 -0.157 1.00 0.78 H new ATOM 0 HA SER A 25 8.046 -7.278 0.976 1.00 0.81 H new ATOM 0 HB2 SER A 25 9.201 -5.152 2.005 1.00 1.16 H new ATOM 0 HB3 SER A 25 7.560 -4.689 2.407 1.00 1.16 H new ATOM 0 HG SER A 25 7.424 -7.061 3.173 1.00 1.60 H new ATOM 361 N LEU A 26 5.483 -5.603 0.071 1.00 0.70 N ATOM 362 CA LEU A 26 4.070 -5.789 -0.216 1.00 0.69 C ATOM 363 C LEU A 26 3.897 -7.009 -1.116 1.00 0.70 C ATOM 364 O LEU A 26 3.003 -7.818 -0.854 1.00 0.69 O ATOM 365 CB LEU A 26 3.470 -4.526 -0.847 1.00 0.75 C ATOM 366 CG LEU A 26 2.917 -3.516 0.176 1.00 0.82 C ATOM 367 CD1 LEU A 26 1.570 -3.959 0.755 1.00 1.63 C ATOM 368 CD2 LEU A 26 3.848 -3.227 1.359 1.00 1.72 C ATOM 0 H LEU A 26 5.892 -4.785 -0.380 1.00 0.70 H new ATOM 0 HA LEU A 26 3.529 -5.965 0.714 1.00 0.69 H new ATOM 0 HB2 LEU A 26 4.234 -4.035 -1.450 1.00 0.75 H new ATOM 0 HB3 LEU A 26 2.668 -4.817 -1.525 1.00 0.75 H new ATOM 0 HG LEU A 26 2.812 -2.603 -0.410 1.00 0.82 H new ATOM 0 HD11 LEU A 26 1.220 -3.216 1.471 1.00 1.63 H new ATOM 0 HD12 LEU A 26 0.842 -4.058 -0.051 1.00 1.63 H new ATOM 0 HD13 LEU A 26 1.688 -4.919 1.257 1.00 1.63 H new ATOM 0 HD21 LEU A 26 3.376 -2.506 2.026 1.00 1.72 H new ATOM 0 HD22 LEU A 26 4.043 -4.151 1.903 1.00 1.72 H new ATOM 0 HD23 LEU A 26 4.789 -2.818 0.990 1.00 1.72 H new ATOM 380 N THR A 27 4.746 -7.167 -2.144 1.00 0.81 N ATOM 381 CA THR A 27 4.733 -8.326 -3.029 1.00 0.98 C ATOM 382 C THR A 27 5.227 -9.573 -2.284 1.00 1.21 C ATOM 383 O THR A 27 6.306 -10.100 -2.545 1.00 1.97 O ATOM 384 CB THR A 27 5.540 -8.063 -4.311 1.00 1.17 C ATOM 385 OG1 THR A 27 6.848 -7.621 -4.019 1.00 2.09 O ATOM 386 CG2 THR A 27 4.853 -7.013 -5.187 1.00 1.14 C ATOM 0 H THR A 27 5.465 -6.483 -2.380 1.00 0.81 H new ATOM 0 HA THR A 27 3.705 -8.510 -3.340 1.00 0.98 H new ATOM 0 HB THR A 27 5.594 -9.011 -4.847 1.00 1.17 H new ATOM 0 HG1 THR A 27 7.004 -7.675 -3.053 1.00 2.09 H new ATOM 0 HG21 THR A 27 5.445 -6.846 -6.087 1.00 1.14 H new ATOM 0 HG22 THR A 27 3.860 -7.365 -5.466 1.00 1.14 H new ATOM 0 HG23 THR A 27 4.764 -6.079 -4.633 1.00 1.14 H new ATOM 394 N LYS A 28 4.411 -10.017 -1.335 1.00 1.08 N ATOM 395 CA LYS A 28 4.601 -11.124 -0.415 1.00 1.30 C ATOM 396 C LYS A 28 3.212 -11.588 0.022 1.00 1.06 C ATOM 397 O LYS A 28 2.915 -12.782 -0.024 1.00 1.10 O ATOM 398 CB LYS A 28 5.403 -10.695 0.825 1.00 1.69 C ATOM 399 CG LYS A 28 6.868 -10.335 0.544 1.00 1.99 C ATOM 400 CD LYS A 28 7.577 -10.013 1.869 1.00 2.57 C ATOM 401 CE LYS A 28 9.052 -9.642 1.651 1.00 3.96 C ATOM 402 NZ LYS A 28 9.569 -8.776 2.736 1.00 4.85 N ATOM 0 H LYS A 28 3.511 -9.563 -1.178 1.00 1.08 H new ATOM 0 HA LYS A 28 5.159 -11.919 -0.909 1.00 1.30 H new ATOM 0 HB2 LYS A 28 4.912 -9.835 1.280 1.00 1.69 H new ATOM 0 HB3 LYS A 28 5.375 -11.502 1.557 1.00 1.69 H new ATOM 0 HG2 LYS A 28 7.368 -11.164 0.043 1.00 1.99 H new ATOM 0 HG3 LYS A 28 6.921 -9.478 -0.127 1.00 1.99 H new ATOM 0 HD2 LYS A 28 7.064 -9.189 2.365 1.00 2.57 H new ATOM 0 HD3 LYS A 28 7.513 -10.874 2.534 1.00 2.57 H new ATOM 0 HE2 LYS A 28 9.651 -10.551 1.595 1.00 3.96 H new ATOM 0 HE3 LYS A 28 9.160 -9.130 0.695 1.00 3.96 H new ATOM 0 HZ1 LYS A 28 10.551 -8.506 2.527 1.00 4.85 H new ATOM 0 HZ2 LYS A 28 8.982 -7.920 2.806 1.00 4.85 H new ATOM 0 HZ3 LYS A 28 9.537 -9.293 3.638 1.00 4.85 H new ATOM 416 N HIS A 29 2.351 -10.652 0.449 1.00 0.95 N ATOM 417 CA HIS A 29 1.026 -11.016 0.917 1.00 1.01 C ATOM 418 C HIS A 29 0.150 -11.406 -0.281 1.00 0.92 C ATOM 419 O HIS A 29 -0.517 -10.567 -0.885 1.00 1.52 O ATOM 420 CB HIS A 29 0.447 -9.943 1.857 1.00 1.29 C ATOM 421 CG HIS A 29 -0.045 -8.655 1.243 1.00 0.82 C ATOM 422 ND1 HIS A 29 -1.302 -8.473 0.717 1.00 1.68 N ATOM 423 CD2 HIS A 29 0.527 -7.416 1.366 1.00 0.83 C ATOM 424 CE1 HIS A 29 -1.487 -7.158 0.528 1.00 2.37 C ATOM 425 NE2 HIS A 29 -0.397 -6.472 0.904 1.00 1.84 N ATOM 0 H HIS A 29 2.554 -9.653 0.476 1.00 0.95 H new ATOM 0 HA HIS A 29 1.070 -11.904 1.548 1.00 1.01 H new ATOM 0 HB2 HIS A 29 -0.383 -10.391 2.404 1.00 1.29 H new ATOM 0 HB3 HIS A 29 1.214 -9.692 2.590 1.00 1.29 H new ATOM 0 HD1 HIS A 29 -1.976 -9.209 0.507 1.00 1.68 H new ATOM 0 HD2 HIS A 29 1.514 -7.206 1.751 1.00 0.83 H new ATOM 0 HE1 HIS A 29 -2.387 -6.714 0.129 1.00 2.37 H new ATOM 433 N ARG A 30 0.190 -12.692 -0.646 1.00 0.81 N ATOM 434 CA ARG A 30 -0.665 -13.286 -1.668 1.00 0.99 C ATOM 435 C ARG A 30 -2.086 -12.729 -1.534 1.00 1.15 C ATOM 436 O ARG A 30 -2.739 -12.939 -0.515 1.00 2.59 O ATOM 437 CB ARG A 30 -0.642 -14.817 -1.547 1.00 1.52 C ATOM 438 CG ARG A 30 -1.575 -15.474 -2.577 1.00 2.32 C ATOM 439 CD ARG A 30 -1.430 -17.002 -2.574 1.00 2.78 C ATOM 440 NE ARG A 30 -0.112 -17.440 -3.068 1.00 3.92 N ATOM 441 CZ ARG A 30 0.253 -17.502 -4.361 1.00 5.29 C ATOM 442 NH1 ARG A 30 -0.599 -17.114 -5.316 1.00 5.91 N ATOM 443 NH2 ARG A 30 1.469 -17.950 -4.691 1.00 6.63 N ATOM 0 H ARG A 30 0.835 -13.361 -0.226 1.00 0.81 H new ATOM 0 HA ARG A 30 -0.292 -13.028 -2.659 1.00 0.99 H new ATOM 0 HB2 ARG A 30 0.376 -15.180 -1.692 1.00 1.52 H new ATOM 0 HB3 ARG A 30 -0.944 -15.109 -0.541 1.00 1.52 H new ATOM 0 HG2 ARG A 30 -2.608 -15.205 -2.357 1.00 2.32 H new ATOM 0 HG3 ARG A 30 -1.350 -15.088 -3.571 1.00 2.32 H new ATOM 0 HD2 ARG A 30 -1.579 -17.377 -1.561 1.00 2.78 H new ATOM 0 HD3 ARG A 30 -2.212 -17.440 -3.194 1.00 2.78 H new ATOM 0 HE ARG A 30 0.580 -17.719 -2.372 1.00 3.92 H new ATOM 0 HH11 ARG A 30 -1.526 -16.771 -5.064 1.00 5.91 H new ATOM 0 HH12 ARG A 30 -0.322 -17.161 -6.297 1.00 5.91 H new ATOM 0 HH21 ARG A 30 2.119 -18.244 -3.962 1.00 6.63 H new ATOM 0 HH22 ARG A 30 1.746 -17.997 -5.671 1.00 6.63 H new ATOM 457 N GLY A 31 -2.517 -11.973 -2.543 1.00 0.84 N ATOM 458 CA GLY A 31 -3.679 -11.105 -2.463 1.00 0.78 C ATOM 459 C GLY A 31 -3.336 -9.749 -3.052 1.00 0.64 C ATOM 460 O GLY A 31 -4.173 -9.127 -3.692 1.00 0.77 O ATOM 0 H GLY A 31 -2.056 -11.950 -3.453 1.00 0.84 H new ATOM 0 HA2 GLY A 31 -4.515 -11.548 -3.004 1.00 0.78 H new ATOM 0 HA3 GLY A 31 -3.993 -10.994 -1.425 1.00 0.78 H new ATOM 464 N ILE A 32 -2.095 -9.286 -2.882 1.00 0.61 N ATOM 465 CA ILE A 32 -1.665 -8.061 -3.521 1.00 0.65 C ATOM 466 C ILE A 32 -1.417 -8.375 -4.997 1.00 0.76 C ATOM 467 O ILE A 32 -0.663 -9.293 -5.321 1.00 0.92 O ATOM 468 CB ILE A 32 -0.420 -7.508 -2.794 1.00 0.69 C ATOM 469 CG1 ILE A 32 -0.566 -6.011 -2.528 1.00 0.94 C ATOM 470 CG2 ILE A 32 0.918 -7.780 -3.484 1.00 1.08 C ATOM 471 CD1 ILE A 32 -0.533 -5.173 -3.806 1.00 1.61 C ATOM 0 H ILE A 32 -1.384 -9.743 -2.311 1.00 0.61 H new ATOM 0 HA ILE A 32 -2.422 -7.279 -3.462 1.00 0.65 H new ATOM 0 HB ILE A 32 -0.386 -8.064 -1.857 1.00 0.69 H new ATOM 0 HG12 ILE A 32 -1.505 -5.830 -2.005 1.00 0.94 H new ATOM 0 HG13 ILE A 32 0.236 -5.685 -1.865 1.00 0.94 H new ATOM 0 HG21 ILE A 32 1.726 -7.350 -2.892 1.00 1.08 H new ATOM 0 HG22 ILE A 32 1.068 -8.856 -3.576 1.00 1.08 H new ATOM 0 HG23 ILE A 32 0.914 -7.328 -4.476 1.00 1.08 H new ATOM 0 HD11 ILE A 32 -0.641 -4.118 -3.552 1.00 1.61 H new ATOM 0 HD12 ILE A 32 0.417 -5.328 -4.318 1.00 1.61 H new ATOM 0 HD13 ILE A 32 -1.351 -5.475 -4.460 1.00 1.61 H new ATOM 483 N LEU A 33 -2.069 -7.628 -5.887 1.00 0.82 N ATOM 484 CA LEU A 33 -1.867 -7.732 -7.320 1.00 0.96 C ATOM 485 C LEU A 33 -0.897 -6.650 -7.803 1.00 1.02 C ATOM 486 O LEU A 33 -0.081 -6.929 -8.679 1.00 1.14 O ATOM 487 CB LEU A 33 -3.208 -7.646 -8.059 1.00 1.09 C ATOM 488 CG LEU A 33 -4.275 -8.650 -7.589 1.00 1.23 C ATOM 489 CD1 LEU A 33 -5.571 -8.370 -8.357 1.00 1.93 C ATOM 490 CD2 LEU A 33 -3.833 -10.099 -7.822 1.00 2.23 C ATOM 0 H LEU A 33 -2.760 -6.926 -5.623 1.00 0.82 H new ATOM 0 HA LEU A 33 -1.424 -8.703 -7.542 1.00 0.96 H new ATOM 0 HB2 LEU A 33 -3.605 -6.637 -7.945 1.00 1.09 H new ATOM 0 HB3 LEU A 33 -3.030 -7.800 -9.123 1.00 1.09 H new ATOM 0 HG LEU A 33 -4.427 -8.527 -6.517 1.00 1.23 H new ATOM 0 HD11 LEU A 33 -6.342 -9.072 -8.038 1.00 1.93 H new ATOM 0 HD12 LEU A 33 -5.901 -7.351 -8.154 1.00 1.93 H new ATOM 0 HD13 LEU A 33 -5.393 -8.487 -9.426 1.00 1.93 H new ATOM 0 HD21 LEU A 33 -4.613 -10.777 -7.477 1.00 2.23 H new ATOM 0 HD22 LEU A 33 -3.657 -10.259 -8.886 1.00 2.23 H new ATOM 0 HD23 LEU A 33 -2.914 -10.292 -7.269 1.00 2.23 H new ATOM 502 N TYR A 34 -0.982 -5.412 -7.287 1.00 0.97 N ATOM 503 CA TYR A 34 -0.122 -4.332 -7.758 1.00 1.04 C ATOM 504 C TYR A 34 -0.009 -3.252 -6.685 1.00 0.98 C ATOM 505 O TYR A 34 -0.974 -3.032 -5.953 1.00 1.01 O ATOM 506 CB TYR A 34 -0.655 -3.764 -9.081 1.00 1.15 C ATOM 507 CG TYR A 34 0.441 -3.380 -10.052 1.00 0.90 C ATOM 508 CD1 TYR A 34 1.075 -2.129 -9.947 1.00 1.75 C ATOM 509 CD2 TYR A 34 0.881 -4.311 -11.010 1.00 1.99 C ATOM 510 CE1 TYR A 34 2.143 -1.809 -10.805 1.00 1.73 C ATOM 511 CE2 TYR A 34 1.935 -3.982 -11.879 1.00 2.58 C ATOM 512 CZ TYR A 34 2.573 -2.736 -11.769 1.00 1.87 C ATOM 513 OH TYR A 34 3.607 -2.431 -12.603 1.00 2.60 O ATOM 0 H TYR A 34 -1.634 -5.143 -6.550 1.00 0.97 H new ATOM 0 HA TYR A 34 0.878 -4.723 -7.948 1.00 1.04 H new ATOM 0 HB2 TYR A 34 -1.304 -4.503 -9.550 1.00 1.15 H new ATOM 0 HB3 TYR A 34 -1.269 -2.888 -8.871 1.00 1.15 H new ATOM 0 HD1 TYR A 34 0.742 -1.415 -9.208 1.00 1.75 H new ATOM 0 HD2 TYR A 34 0.408 -5.280 -11.078 1.00 1.99 H new ATOM 0 HE1 TYR A 34 2.633 -0.850 -10.723 1.00 1.73 H new ATOM 0 HE2 TYR A 34 2.254 -4.688 -12.632 1.00 2.58 H new ATOM 0 HH TYR A 34 3.774 -3.185 -13.206 1.00 2.60 H new ATOM 523 N CYS A 35 1.157 -2.604 -6.588 1.00 1.01 N ATOM 524 CA CYS A 35 1.525 -1.737 -5.471 1.00 0.88 C ATOM 525 C CYS A 35 2.356 -0.540 -5.931 1.00 1.34 C ATOM 526 O CYS A 35 3.425 -0.291 -5.384 1.00 2.80 O ATOM 527 CB CYS A 35 2.327 -2.561 -4.446 1.00 0.67 C ATOM 528 SG CYS A 35 3.746 -3.374 -5.238 1.00 2.69 S ATOM 0 H CYS A 35 1.884 -2.671 -7.300 1.00 1.01 H new ATOM 0 HA CYS A 35 0.611 -1.349 -5.021 1.00 0.88 H new ATOM 0 HB2 CYS A 35 2.676 -1.911 -3.644 1.00 0.67 H new ATOM 0 HB3 CYS A 35 1.681 -3.311 -3.990 1.00 0.67 H new ATOM 0 HG CYS A 35 4.271 -2.572 -6.116 1.00 2.69 H new ATOM 534 N SER A 36 1.845 0.272 -6.864 1.00 0.61 N ATOM 535 CA SER A 36 2.665 1.314 -7.484 1.00 0.81 C ATOM 536 C SER A 36 2.798 2.514 -6.540 1.00 0.81 C ATOM 537 O SER A 36 2.054 3.494 -6.639 1.00 1.43 O ATOM 538 CB SER A 36 2.079 1.711 -8.845 1.00 1.10 C ATOM 539 OG SER A 36 3.043 2.380 -9.633 1.00 1.96 O ATOM 0 H SER A 36 0.883 0.228 -7.201 1.00 0.61 H new ATOM 0 HA SER A 36 3.668 0.927 -7.663 1.00 0.81 H new ATOM 0 HB2 SER A 36 1.729 0.821 -9.369 1.00 1.10 H new ATOM 0 HB3 SER A 36 1.212 2.356 -8.698 1.00 1.10 H new ATOM 0 HG SER A 36 2.648 2.622 -10.497 1.00 1.96 H new ATOM 545 N VAL A 37 3.720 2.419 -5.584 1.00 0.52 N ATOM 546 CA VAL A 37 3.809 3.345 -4.479 1.00 0.57 C ATOM 547 C VAL A 37 4.590 4.617 -4.832 1.00 0.72 C ATOM 548 O VAL A 37 5.741 4.799 -4.437 1.00 1.77 O ATOM 549 CB VAL A 37 4.289 2.551 -3.259 1.00 0.79 C ATOM 550 CG1 VAL A 37 5.696 1.979 -3.423 1.00 1.68 C ATOM 551 CG2 VAL A 37 4.216 3.376 -1.984 1.00 1.45 C ATOM 0 H VAL A 37 4.429 1.686 -5.563 1.00 0.52 H new ATOM 0 HA VAL A 37 2.837 3.767 -4.224 1.00 0.57 H new ATOM 0 HB VAL A 37 3.602 1.709 -3.180 1.00 0.79 H new ATOM 0 HG11 VAL A 37 5.972 1.429 -2.523 1.00 1.68 H new ATOM 0 HG12 VAL A 37 5.718 1.306 -4.280 1.00 1.68 H new ATOM 0 HG13 VAL A 37 6.403 2.793 -3.583 1.00 1.68 H new ATOM 0 HG21 VAL A 37 4.565 2.777 -1.143 1.00 1.45 H new ATOM 0 HG22 VAL A 37 4.846 4.260 -2.086 1.00 1.45 H new ATOM 0 HG23 VAL A 37 3.185 3.683 -1.808 1.00 1.45 H new ATOM 561 N ALA A 38 3.949 5.532 -5.569 1.00 0.85 N ATOM 562 CA ALA A 38 4.614 6.743 -6.029 1.00 0.84 C ATOM 563 C ALA A 38 4.744 7.794 -4.925 1.00 0.84 C ATOM 564 O ALA A 38 3.762 8.261 -4.334 1.00 0.85 O ATOM 565 CB ALA A 38 3.914 7.369 -7.223 1.00 0.87 C ATOM 0 H ALA A 38 2.973 5.451 -5.856 1.00 0.85 H new ATOM 0 HA ALA A 38 5.611 6.423 -6.330 1.00 0.84 H new ATOM 0 HB1 ALA A 38 4.449 8.269 -7.528 1.00 0.87 H new ATOM 0 HB2 ALA A 38 3.899 6.659 -8.050 1.00 0.87 H new ATOM 0 HB3 ALA A 38 2.891 7.630 -6.950 1.00 0.87 H new ATOM 571 N LEU A 39 5.996 8.192 -4.705 1.00 0.91 N ATOM 572 CA LEU A 39 6.436 8.954 -3.548 1.00 1.06 C ATOM 573 C LEU A 39 6.221 10.455 -3.705 1.00 1.05 C ATOM 574 O LEU A 39 5.949 11.131 -2.719 1.00 1.10 O ATOM 575 CB LEU A 39 7.856 8.544 -3.125 1.00 1.60 C ATOM 576 CG LEU A 39 9.063 9.002 -3.963 1.00 1.24 C ATOM 577 CD1 LEU A 39 8.974 8.647 -5.451 1.00 3.07 C ATOM 578 CD2 LEU A 39 9.402 10.487 -3.777 1.00 1.80 C ATOM 0 H LEU A 39 6.755 7.983 -5.353 1.00 0.91 H new ATOM 0 HA LEU A 39 5.791 8.693 -2.709 1.00 1.06 H new ATOM 0 HB2 LEU A 39 8.010 8.905 -2.108 1.00 1.60 H new ATOM 0 HB3 LEU A 39 7.882 7.455 -3.084 1.00 1.60 H new ATOM 0 HG LEU A 39 9.889 8.419 -3.557 1.00 1.24 H new ATOM 0 HD11 LEU A 39 9.865 9.007 -5.965 1.00 3.07 H new ATOM 0 HD12 LEU A 39 8.902 7.565 -5.563 1.00 3.07 H new ATOM 0 HD13 LEU A 39 8.091 9.116 -5.885 1.00 3.07 H new ATOM 0 HD21 LEU A 39 10.262 10.744 -4.395 1.00 1.80 H new ATOM 0 HD22 LEU A 39 8.547 11.095 -4.073 1.00 1.80 H new ATOM 0 HD23 LEU A 39 9.638 10.678 -2.730 1.00 1.80 H new ATOM 590 N ALA A 40 6.247 10.978 -4.935 1.00 1.13 N ATOM 591 CA ALA A 40 5.968 12.388 -5.192 1.00 1.36 C ATOM 592 C ALA A 40 4.590 12.774 -4.644 1.00 1.20 C ATOM 593 O ALA A 40 4.401 13.850 -4.087 1.00 1.30 O ATOM 594 CB ALA A 40 6.054 12.660 -6.696 1.00 1.73 C ATOM 0 H ALA A 40 6.461 10.437 -5.773 1.00 1.13 H new ATOM 0 HA ALA A 40 6.711 12.999 -4.680 1.00 1.36 H new ATOM 0 HB1 ALA A 40 5.846 13.713 -6.888 1.00 1.73 H new ATOM 0 HB2 ALA A 40 7.055 12.417 -7.053 1.00 1.73 H new ATOM 0 HB3 ALA A 40 5.323 12.044 -7.220 1.00 1.73 H new ATOM 600 N THR A 41 3.630 11.862 -4.794 1.00 1.15 N ATOM 601 CA THR A 41 2.262 11.968 -4.330 1.00 1.27 C ATOM 602 C THR A 41 2.105 11.399 -2.915 1.00 0.95 C ATOM 603 O THR A 41 1.013 11.436 -2.352 1.00 1.06 O ATOM 604 CB THR A 41 1.435 11.157 -5.336 1.00 1.92 C ATOM 605 OG1 THR A 41 2.208 10.057 -5.811 1.00 3.77 O ATOM 606 CG2 THR A 41 1.087 12.018 -6.552 1.00 2.27 C ATOM 0 H THR A 41 3.805 10.979 -5.273 1.00 1.15 H new ATOM 0 HA THR A 41 1.938 13.007 -4.273 1.00 1.27 H new ATOM 0 HB THR A 41 0.529 10.817 -4.835 1.00 1.92 H new ATOM 0 HG1 THR A 41 2.580 9.566 -5.049 1.00 3.77 H new ATOM 0 HG21 THR A 41 0.500 11.430 -7.258 1.00 2.27 H new ATOM 0 HG22 THR A 41 0.508 12.884 -6.231 1.00 2.27 H new ATOM 0 HG23 THR A 41 2.005 12.354 -7.035 1.00 2.27 H new ATOM 614 N ASN A 42 3.180 10.829 -2.363 1.00 0.75 N ATOM 615 CA ASN A 42 3.200 10.014 -1.160 1.00 0.58 C ATOM 616 C ASN A 42 2.030 9.018 -1.138 1.00 0.57 C ATOM 617 O ASN A 42 1.358 8.907 -0.113 1.00 0.64 O ATOM 618 CB ASN A 42 3.203 10.868 0.116 1.00 0.69 C ATOM 619 CG ASN A 42 4.329 11.895 0.211 1.00 0.93 C ATOM 620 OD1 ASN A 42 4.059 13.098 0.210 1.00 1.90 O ATOM 621 ND2 ASN A 42 5.575 11.471 0.401 1.00 1.30 N ATOM 0 H ASN A 42 4.108 10.934 -2.772 1.00 0.75 H new ATOM 0 HA ASN A 42 4.132 9.449 -1.181 1.00 0.58 H new ATOM 0 HB2 ASN A 42 2.249 11.391 0.185 1.00 0.69 H new ATOM 0 HB3 ASN A 42 3.266 10.204 0.978 1.00 0.69 H new ATOM 0 HD21 ASN A 42 6.326 12.145 0.549 1.00 1.30 H new ATOM 0 HD22 ASN A 42 5.780 10.472 0.399 1.00 1.30 H new ATOM 628 N LYS A 43 1.764 8.299 -2.241 1.00 0.58 N ATOM 629 CA LYS A 43 0.650 7.353 -2.293 1.00 0.56 C ATOM 630 C LYS A 43 1.135 5.931 -2.519 1.00 0.49 C ATOM 631 O LYS A 43 2.166 5.738 -3.157 1.00 0.72 O ATOM 632 CB LYS A 43 -0.408 7.729 -3.345 1.00 0.86 C ATOM 633 CG LYS A 43 0.067 7.608 -4.804 1.00 2.01 C ATOM 634 CD LYS A 43 -1.074 7.334 -5.792 1.00 1.62 C ATOM 635 CE LYS A 43 -2.202 8.371 -5.708 1.00 1.31 C ATOM 636 NZ LYS A 43 -3.232 8.127 -6.737 1.00 1.54 N ATOM 0 H LYS A 43 2.306 8.358 -3.103 1.00 0.58 H new ATOM 0 HA LYS A 43 0.168 7.408 -1.317 1.00 0.56 H new ATOM 0 HB2 LYS A 43 -1.281 7.091 -3.207 1.00 0.86 H new ATOM 0 HB3 LYS A 43 -0.731 8.755 -3.166 1.00 0.86 H new ATOM 0 HG2 LYS A 43 0.574 8.529 -5.091 1.00 2.01 H new ATOM 0 HG3 LYS A 43 0.801 6.805 -4.875 1.00 2.01 H new ATOM 0 HD2 LYS A 43 -0.674 7.322 -6.806 1.00 1.62 H new ATOM 0 HD3 LYS A 43 -1.484 6.343 -5.599 1.00 1.62 H new ATOM 0 HE2 LYS A 43 -2.658 8.336 -4.719 1.00 1.31 H new ATOM 0 HE3 LYS A 43 -1.789 9.372 -5.834 1.00 1.31 H new ATOM 0 HZ1 LYS A 43 -4.176 8.274 -6.325 1.00 1.54 H new ATOM 0 HZ2 LYS A 43 -3.094 8.786 -7.530 1.00 1.54 H new ATOM 0 HZ3 LYS A 43 -3.153 7.149 -7.082 1.00 1.54 H new ATOM 650 N ALA A 44 0.335 4.953 -2.089 1.00 0.39 N ATOM 651 CA ALA A 44 0.241 3.661 -2.746 1.00 0.46 C ATOM 652 C ALA A 44 -1.174 3.522 -3.278 1.00 0.51 C ATOM 653 O ALA A 44 -2.114 3.893 -2.576 1.00 0.72 O ATOM 654 CB ALA A 44 0.575 2.519 -1.780 1.00 0.66 C ATOM 0 H ALA A 44 -0.267 5.042 -1.270 1.00 0.39 H new ATOM 0 HA ALA A 44 0.963 3.602 -3.560 1.00 0.46 H new ATOM 0 HB1 ALA A 44 0.495 1.566 -2.302 1.00 0.66 H new ATOM 0 HB2 ALA A 44 1.591 2.644 -1.406 1.00 0.66 H new ATOM 0 HB3 ALA A 44 -0.124 2.534 -0.944 1.00 0.66 H new ATOM 660 N HIS A 45 -1.326 2.966 -4.486 1.00 0.48 N ATOM 661 CA HIS A 45 -2.516 2.201 -4.782 1.00 0.53 C ATOM 662 C HIS A 45 -2.139 0.780 -4.400 1.00 0.54 C ATOM 663 O HIS A 45 -1.006 0.381 -4.662 1.00 0.79 O ATOM 664 CB HIS A 45 -2.963 2.363 -6.245 1.00 0.97 C ATOM 665 CG HIS A 45 -2.167 1.627 -7.293 1.00 1.06 C ATOM 666 ND1 HIS A 45 -1.650 2.186 -8.441 1.00 1.85 N ATOM 667 CD2 HIS A 45 -2.126 0.267 -7.450 1.00 1.56 C ATOM 668 CE1 HIS A 45 -1.286 1.179 -9.253 1.00 2.84 C ATOM 669 NE2 HIS A 45 -1.542 -0.011 -8.688 1.00 2.70 N ATOM 0 H HIS A 45 -0.652 3.035 -5.249 1.00 0.48 H new ATOM 0 HA HIS A 45 -3.392 2.538 -4.227 1.00 0.53 H new ATOM 0 HB2 HIS A 45 -4.001 2.039 -6.319 1.00 0.97 H new ATOM 0 HB3 HIS A 45 -2.943 3.425 -6.489 1.00 0.97 H new ATOM 0 HD1 HIS A 45 -1.560 3.183 -8.639 1.00 1.85 H new ATOM 0 HD2 HIS A 45 -2.483 -0.464 -6.740 1.00 1.56 H new ATOM 0 HE1 HIS A 45 -0.846 1.310 -10.231 1.00 2.84 H new ATOM 677 N ILE A 46 -3.045 0.041 -3.767 1.00 0.50 N ATOM 678 CA ILE A 46 -2.843 -1.370 -3.491 1.00 0.49 C ATOM 679 C ILE A 46 -3.997 -2.110 -4.136 1.00 0.60 C ATOM 680 O ILE A 46 -5.128 -2.070 -3.652 1.00 1.02 O ATOM 681 CB ILE A 46 -2.720 -1.630 -1.983 1.00 0.52 C ATOM 682 CG1 ILE A 46 -1.370 -1.121 -1.456 1.00 0.56 C ATOM 683 CG2 ILE A 46 -2.894 -3.113 -1.644 1.00 0.78 C ATOM 684 CD1 ILE A 46 -0.140 -1.942 -1.847 1.00 2.09 C ATOM 0 H ILE A 46 -3.937 0.406 -3.433 1.00 0.50 H new ATOM 0 HA ILE A 46 -1.903 -1.730 -3.911 1.00 0.49 H new ATOM 0 HB ILE A 46 -3.524 -1.081 -1.493 1.00 0.52 H new ATOM 0 HG12 ILE A 46 -1.227 -0.100 -1.810 1.00 0.56 H new ATOM 0 HG13 ILE A 46 -1.421 -1.077 -0.368 1.00 0.56 H new ATOM 0 HG21 ILE A 46 -2.800 -3.254 -0.567 1.00 0.78 H new ATOM 0 HG22 ILE A 46 -3.879 -3.447 -1.969 1.00 0.78 H new ATOM 0 HG23 ILE A 46 -2.127 -3.695 -2.154 1.00 0.78 H new ATOM 0 HD11 ILE A 46 0.753 -1.487 -1.418 1.00 2.09 H new ATOM 0 HD12 ILE A 46 -0.246 -2.959 -1.469 1.00 2.09 H new ATOM 0 HD13 ILE A 46 -0.049 -1.966 -2.933 1.00 2.09 H new ATOM 696 N LYS A 47 -3.706 -2.786 -5.242 1.00 0.44 N ATOM 697 CA LYS A 47 -4.677 -3.634 -5.893 1.00 0.48 C ATOM 698 C LYS A 47 -4.752 -4.966 -5.152 1.00 0.54 C ATOM 699 O LYS A 47 -4.310 -5.988 -5.665 1.00 0.78 O ATOM 700 CB LYS A 47 -4.310 -3.815 -7.368 1.00 0.56 C ATOM 701 CG LYS A 47 -4.351 -2.500 -8.164 1.00 0.62 C ATOM 702 CD LYS A 47 -5.011 -2.820 -9.513 1.00 1.08 C ATOM 703 CE LYS A 47 -5.133 -1.609 -10.444 1.00 1.44 C ATOM 704 NZ LYS A 47 -6.088 -1.896 -11.536 1.00 2.26 N ATOM 0 H LYS A 47 -2.797 -2.757 -5.703 1.00 0.44 H new ATOM 0 HA LYS A 47 -5.664 -3.172 -5.862 1.00 0.48 H new ATOM 0 HB2 LYS A 47 -3.311 -4.244 -7.438 1.00 0.56 H new ATOM 0 HB3 LYS A 47 -4.996 -4.530 -7.822 1.00 0.56 H new ATOM 0 HG2 LYS A 47 -4.918 -1.740 -7.627 1.00 0.62 H new ATOM 0 HG3 LYS A 47 -3.346 -2.104 -8.309 1.00 0.62 H new ATOM 0 HD2 LYS A 47 -4.433 -3.596 -10.015 1.00 1.08 H new ATOM 0 HD3 LYS A 47 -6.005 -3.230 -9.333 1.00 1.08 H new ATOM 0 HE2 LYS A 47 -5.467 -0.739 -9.879 1.00 1.44 H new ATOM 0 HE3 LYS A 47 -4.157 -1.362 -10.861 1.00 1.44 H new ATOM 0 HZ1 LYS A 47 -6.161 -1.067 -12.160 1.00 2.26 H new ATOM 0 HZ2 LYS A 47 -5.753 -2.713 -12.085 1.00 2.26 H new ATOM 0 HZ3 LYS A 47 -7.023 -2.110 -11.133 1.00 2.26 H new ATOM 718 N TYR A 48 -5.266 -4.958 -3.924 1.00 1.09 N ATOM 719 CA TYR A 48 -5.560 -6.192 -3.212 1.00 0.98 C ATOM 720 C TYR A 48 -6.803 -6.886 -3.781 1.00 0.81 C ATOM 721 O TYR A 48 -7.771 -6.221 -4.149 1.00 0.97 O ATOM 722 CB TYR A 48 -5.688 -5.962 -1.703 1.00 1.02 C ATOM 723 CG TYR A 48 -6.942 -5.243 -1.228 1.00 0.98 C ATOM 724 CD1 TYR A 48 -7.022 -3.837 -1.251 1.00 1.89 C ATOM 725 CD2 TYR A 48 -8.000 -5.983 -0.666 1.00 2.14 C ATOM 726 CE1 TYR A 48 -8.125 -3.184 -0.677 1.00 1.94 C ATOM 727 CE2 TYR A 48 -9.107 -5.326 -0.102 1.00 2.25 C ATOM 728 CZ TYR A 48 -9.168 -3.925 -0.107 1.00 1.28 C ATOM 729 OH TYR A 48 -10.231 -3.283 0.453 1.00 1.57 O ATOM 0 H TYR A 48 -5.486 -4.109 -3.404 1.00 1.09 H new ATOM 0 HA TYR A 48 -4.712 -6.860 -3.364 1.00 0.98 H new ATOM 0 HB2 TYR A 48 -5.641 -6.931 -1.205 1.00 1.02 H new ATOM 0 HB3 TYR A 48 -4.821 -5.391 -1.371 1.00 1.02 H new ATOM 0 HD1 TYR A 48 -6.234 -3.260 -1.711 1.00 1.89 H new ATOM 0 HD2 TYR A 48 -7.961 -7.062 -0.668 1.00 2.14 H new ATOM 0 HE1 TYR A 48 -8.169 -2.105 -0.675 1.00 1.94 H new ATOM 0 HE2 TYR A 48 -9.911 -5.900 0.335 1.00 2.25 H new ATOM 0 HH TYR A 48 -10.865 -3.944 0.802 1.00 1.57 H new ATOM 739 N ASP A 49 -6.782 -8.220 -3.805 1.00 0.65 N ATOM 740 CA ASP A 49 -7.931 -9.067 -4.110 1.00 0.69 C ATOM 741 C ASP A 49 -9.002 -8.815 -3.042 1.00 0.68 C ATOM 742 O ASP A 49 -8.768 -9.149 -1.879 1.00 0.70 O ATOM 743 CB ASP A 49 -7.523 -10.551 -4.088 1.00 0.79 C ATOM 744 CG ASP A 49 -6.787 -10.998 -5.344 1.00 1.61 C ATOM 745 OD1 ASP A 49 -7.356 -10.790 -6.436 1.00 2.39 O ATOM 746 OD2 ASP A 49 -5.688 -11.574 -5.191 1.00 2.94 O ATOM 0 H ASP A 49 -5.937 -8.755 -3.606 1.00 0.65 H new ATOM 0 HA ASP A 49 -8.313 -8.830 -5.103 1.00 0.69 H new ATOM 0 HB2 ASP A 49 -6.888 -10.732 -3.221 1.00 0.79 H new ATOM 0 HB3 ASP A 49 -8.416 -11.163 -3.963 1.00 0.79 H new ATOM 751 N PRO A 50 -10.163 -8.227 -3.378 1.00 0.92 N ATOM 752 CA PRO A 50 -11.075 -7.661 -2.391 1.00 1.19 C ATOM 753 C PRO A 50 -11.977 -8.721 -1.739 1.00 1.28 C ATOM 754 O PRO A 50 -13.185 -8.519 -1.627 1.00 1.76 O ATOM 755 CB PRO A 50 -11.860 -6.600 -3.173 1.00 1.55 C ATOM 756 CG PRO A 50 -11.964 -7.226 -4.565 1.00 1.49 C ATOM 757 CD PRO A 50 -10.599 -7.896 -4.727 1.00 1.15 C ATOM 0 HA PRO A 50 -10.547 -7.230 -1.540 1.00 1.19 H new ATOM 0 HB2 PRO A 50 -12.842 -6.417 -2.736 1.00 1.55 H new ATOM 0 HB3 PRO A 50 -11.338 -5.643 -3.196 1.00 1.55 H new ATOM 0 HG2 PRO A 50 -12.780 -7.946 -4.627 1.00 1.49 H new ATOM 0 HG3 PRO A 50 -12.142 -6.476 -5.335 1.00 1.49 H new ATOM 0 HD2 PRO A 50 -10.672 -8.790 -5.346 1.00 1.15 H new ATOM 0 HD3 PRO A 50 -9.890 -7.228 -5.215 1.00 1.15 H new ATOM 765 N GLU A 51 -11.388 -9.833 -1.284 1.00 1.13 N ATOM 766 CA GLU A 51 -12.090 -10.948 -0.663 1.00 1.27 C ATOM 767 C GLU A 51 -11.303 -11.455 0.548 1.00 1.19 C ATOM 768 O GLU A 51 -11.771 -11.399 1.681 1.00 1.77 O ATOM 769 CB GLU A 51 -12.305 -12.073 -1.689 1.00 1.43 C ATOM 770 CG GLU A 51 -12.956 -11.572 -2.987 1.00 2.48 C ATOM 771 CD GLU A 51 -13.423 -12.717 -3.879 1.00 2.91 C ATOM 772 OE1 GLU A 51 -12.925 -13.845 -3.670 1.00 2.77 O ATOM 773 OE2 GLU A 51 -14.272 -12.444 -4.753 1.00 4.09 O ATOM 0 H GLU A 51 -10.380 -9.980 -1.342 1.00 1.13 H new ATOM 0 HA GLU A 51 -13.067 -10.609 -0.318 1.00 1.27 H new ATOM 0 HB2 GLU A 51 -11.346 -12.535 -1.923 1.00 1.43 H new ATOM 0 HB3 GLU A 51 -12.932 -12.847 -1.248 1.00 1.43 H new ATOM 0 HG2 GLU A 51 -13.806 -10.935 -2.742 1.00 2.48 H new ATOM 0 HG3 GLU A 51 -12.243 -10.956 -3.534 1.00 2.48 H new ATOM 780 N ILE A 52 -10.099 -11.977 0.295 1.00 0.82 N ATOM 781 CA ILE A 52 -9.304 -12.690 1.290 1.00 0.86 C ATOM 782 C ILE A 52 -8.677 -11.774 2.341 1.00 0.82 C ATOM 783 O ILE A 52 -8.324 -12.233 3.425 1.00 0.99 O ATOM 784 CB ILE A 52 -8.234 -13.548 0.594 1.00 1.03 C ATOM 785 CG1 ILE A 52 -7.364 -12.744 -0.391 1.00 1.41 C ATOM 786 CG2 ILE A 52 -8.901 -14.740 -0.109 1.00 1.70 C ATOM 787 CD1 ILE A 52 -6.080 -13.492 -0.757 1.00 1.85 C ATOM 0 H ILE A 52 -9.647 -11.914 -0.617 1.00 0.82 H new ATOM 0 HA ILE A 52 -9.990 -13.338 1.836 1.00 0.86 H new ATOM 0 HB ILE A 52 -7.557 -13.912 1.366 1.00 1.03 H new ATOM 0 HG12 ILE A 52 -7.935 -12.538 -1.296 1.00 1.41 H new ATOM 0 HG13 ILE A 52 -7.110 -11.781 0.051 1.00 1.41 H new ATOM 0 HG21 ILE A 52 -8.139 -15.345 -0.601 1.00 1.70 H new ATOM 0 HG22 ILE A 52 -9.428 -15.348 0.626 1.00 1.70 H new ATOM 0 HG23 ILE A 52 -9.609 -14.374 -0.852 1.00 1.70 H new ATOM 0 HD11 ILE A 52 -5.495 -12.891 -1.453 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -5.496 -13.674 0.145 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -6.334 -14.444 -1.224 1.00 1.85 H new ATOM 799 N ILE A 53 -8.484 -10.504 2.001 1.00 0.96 N ATOM 800 CA ILE A 53 -7.668 -9.568 2.756 1.00 0.93 C ATOM 801 C ILE A 53 -8.345 -8.199 2.711 1.00 0.77 C ATOM 802 O ILE A 53 -9.085 -7.928 1.765 1.00 0.79 O ATOM 803 CB ILE A 53 -6.262 -9.596 2.134 1.00 0.96 C ATOM 804 CG1 ILE A 53 -5.245 -8.992 3.101 1.00 1.24 C ATOM 805 CG2 ILE A 53 -6.216 -8.911 0.762 1.00 0.87 C ATOM 806 CD1 ILE A 53 -3.823 -9.138 2.574 1.00 0.94 C ATOM 0 H ILE A 53 -8.904 -10.089 1.169 1.00 0.96 H new ATOM 0 HA ILE A 53 -7.568 -9.826 3.810 1.00 0.93 H new ATOM 0 HB ILE A 53 -5.997 -10.639 1.960 1.00 0.96 H new ATOM 0 HG12 ILE A 53 -5.471 -7.937 3.257 1.00 1.24 H new ATOM 0 HG13 ILE A 53 -5.327 -9.482 4.071 1.00 1.24 H new ATOM 0 HG21 ILE A 53 -5.202 -8.958 0.366 1.00 0.87 H new ATOM 0 HG22 ILE A 53 -6.896 -9.419 0.079 1.00 0.87 H new ATOM 0 HG23 ILE A 53 -6.517 -7.869 0.865 1.00 0.87 H new ATOM 0 HD11 ILE A 53 -3.124 -8.698 3.286 1.00 0.94 H new ATOM 0 HD12 ILE A 53 -3.590 -10.195 2.443 1.00 0.94 H new ATOM 0 HD13 ILE A 53 -3.736 -8.626 1.616 1.00 0.94 H new ATOM 818 N GLY A 54 -8.149 -7.361 3.734 1.00 0.74 N ATOM 819 CA GLY A 54 -8.850 -6.095 3.876 1.00 0.73 C ATOM 820 C GLY A 54 -7.880 -4.917 3.951 1.00 0.65 C ATOM 821 O GLY A 54 -6.662 -5.091 3.887 1.00 0.65 O ATOM 0 H GLY A 54 -7.492 -7.551 4.490 1.00 0.74 H new ATOM 0 HA2 GLY A 54 -9.526 -5.957 3.032 1.00 0.73 H new ATOM 0 HA3 GLY A 54 -9.464 -6.118 4.776 1.00 0.73 H new ATOM 825 N PRO A 55 -8.416 -3.696 4.113 1.00 0.66 N ATOM 826 CA PRO A 55 -7.608 -2.502 4.286 1.00 0.64 C ATOM 827 C PRO A 55 -6.745 -2.621 5.541 1.00 0.63 C ATOM 828 O PRO A 55 -5.578 -2.246 5.522 1.00 0.59 O ATOM 829 CB PRO A 55 -8.598 -1.335 4.358 1.00 0.72 C ATOM 830 CG PRO A 55 -9.901 -1.982 4.826 1.00 0.79 C ATOM 831 CD PRO A 55 -9.833 -3.382 4.212 1.00 0.75 C ATOM 0 HA PRO A 55 -6.908 -2.350 3.464 1.00 0.64 H new ATOM 0 HB2 PRO A 55 -8.261 -0.568 5.055 1.00 0.72 H new ATOM 0 HB3 PRO A 55 -8.718 -0.853 3.388 1.00 0.72 H new ATOM 0 HG2 PRO A 55 -9.964 -2.021 5.913 1.00 0.79 H new ATOM 0 HG3 PRO A 55 -10.774 -1.430 4.476 1.00 0.79 H new ATOM 0 HD2 PRO A 55 -10.353 -4.109 4.835 1.00 0.75 H new ATOM 0 HD3 PRO A 55 -10.309 -3.404 3.232 1.00 0.75 H new ATOM 839 N ARG A 56 -7.310 -3.156 6.629 1.00 0.72 N ATOM 840 CA ARG A 56 -6.609 -3.318 7.897 1.00 0.78 C ATOM 841 C ARG A 56 -5.281 -4.069 7.728 1.00 0.70 C ATOM 842 O ARG A 56 -4.263 -3.642 8.271 1.00 0.66 O ATOM 843 CB ARG A 56 -7.550 -3.923 8.954 1.00 1.02 C ATOM 844 CG ARG A 56 -8.050 -5.337 8.628 1.00 1.91 C ATOM 845 CD ARG A 56 -7.234 -6.406 9.365 1.00 3.03 C ATOM 846 NE ARG A 56 -7.319 -7.696 8.664 1.00 4.91 N ATOM 847 CZ ARG A 56 -7.349 -8.924 9.202 1.00 6.20 C ATOM 848 NH1 ARG A 56 -7.724 -9.102 10.473 1.00 5.91 N ATOM 849 NH2 ARG A 56 -6.995 -9.973 8.458 1.00 8.15 N ATOM 0 H ARG A 56 -8.274 -3.490 6.649 1.00 0.72 H new ATOM 0 HA ARG A 56 -6.320 -2.336 8.270 1.00 0.78 H new ATOM 0 HB2 ARG A 56 -7.031 -3.947 9.912 1.00 1.02 H new ATOM 0 HB3 ARG A 56 -8.411 -3.266 9.074 1.00 1.02 H new ATOM 0 HG2 ARG A 56 -9.101 -5.425 8.904 1.00 1.91 H new ATOM 0 HG3 ARG A 56 -7.988 -5.507 7.553 1.00 1.91 H new ATOM 0 HD2 ARG A 56 -6.193 -6.092 9.435 1.00 3.03 H new ATOM 0 HD3 ARG A 56 -7.604 -6.515 10.385 1.00 3.03 H new ATOM 0 HE ARG A 56 -7.360 -7.651 7.646 1.00 4.91 H new ATOM 0 HH11 ARG A 56 -7.991 -8.299 11.043 1.00 5.91 H new ATOM 0 HH12 ARG A 56 -7.743 -10.040 10.872 1.00 5.91 H new ATOM 0 HH21 ARG A 56 -6.705 -9.837 7.490 1.00 8.15 H new ATOM 0 HH22 ARG A 56 -7.014 -10.911 8.857 1.00 8.15 H new ATOM 863 N ASP A 57 -5.263 -5.167 6.960 1.00 0.72 N ATOM 864 CA ASP A 57 -4.051 -5.940 6.718 1.00 0.71 C ATOM 865 C ASP A 57 -2.961 -5.039 6.139 1.00 0.67 C ATOM 866 O ASP A 57 -1.844 -4.968 6.657 1.00 0.64 O ATOM 867 CB ASP A 57 -4.352 -7.076 5.733 1.00 0.84 C ATOM 868 CG ASP A 57 -5.539 -7.919 6.157 1.00 1.43 C ATOM 869 OD1 ASP A 57 -6.681 -7.414 6.045 1.00 2.65 O ATOM 870 OD2 ASP A 57 -5.332 -9.041 6.662 1.00 1.88 O ATOM 0 H ASP A 57 -6.090 -5.539 6.493 1.00 0.72 H new ATOM 0 HA ASP A 57 -3.704 -6.359 7.663 1.00 0.71 H new ATOM 0 HB2 ASP A 57 -4.545 -6.654 4.746 1.00 0.84 H new ATOM 0 HB3 ASP A 57 -3.473 -7.714 5.641 1.00 0.84 H new ATOM 875 N ILE A 58 -3.303 -4.340 5.054 1.00 0.69 N ATOM 876 CA ILE A 58 -2.395 -3.426 4.376 1.00 0.63 C ATOM 877 C ILE A 58 -1.936 -2.373 5.371 1.00 0.61 C ATOM 878 O ILE A 58 -0.744 -2.105 5.478 1.00 0.61 O ATOM 879 CB ILE A 58 -3.077 -2.746 3.183 1.00 0.64 C ATOM 880 CG1 ILE A 58 -3.570 -3.787 2.172 1.00 0.62 C ATOM 881 CG2 ILE A 58 -2.112 -1.756 2.504 1.00 0.63 C ATOM 882 CD1 ILE A 58 -4.604 -3.148 1.256 1.00 1.67 C ATOM 0 H ILE A 58 -4.225 -4.396 4.622 1.00 0.69 H new ATOM 0 HA ILE A 58 -1.544 -3.991 3.996 1.00 0.63 H new ATOM 0 HB ILE A 58 -3.940 -2.193 3.554 1.00 0.64 H new ATOM 0 HG12 ILE A 58 -2.733 -4.166 1.586 1.00 0.62 H new ATOM 0 HG13 ILE A 58 -4.006 -4.639 2.693 1.00 0.62 H new ATOM 0 HG21 ILE A 58 -2.612 -1.282 1.659 1.00 0.63 H new ATOM 0 HG22 ILE A 58 -1.809 -0.993 3.221 1.00 0.63 H new ATOM 0 HG23 ILE A 58 -1.231 -2.291 2.150 1.00 0.63 H new ATOM 0 HD11 ILE A 58 -4.957 -3.886 0.535 1.00 1.67 H new ATOM 0 HD12 ILE A 58 -5.445 -2.790 1.850 1.00 1.67 H new ATOM 0 HD13 ILE A 58 -4.152 -2.310 0.725 1.00 1.67 H new ATOM 894 N ILE A 59 -2.881 -1.767 6.086 1.00 0.61 N ATOM 895 CA ILE A 59 -2.572 -0.722 7.039 1.00 0.60 C ATOM 896 C ILE A 59 -1.506 -1.223 8.010 1.00 0.59 C ATOM 897 O ILE A 59 -0.455 -0.607 8.133 1.00 0.59 O ATOM 898 CB ILE A 59 -3.853 -0.206 7.717 1.00 0.60 C ATOM 899 CG1 ILE A 59 -4.557 0.775 6.763 1.00 0.67 C ATOM 900 CG2 ILE A 59 -3.579 0.459 9.074 1.00 0.59 C ATOM 901 CD1 ILE A 59 -6.040 0.920 7.094 1.00 0.66 C ATOM 0 H ILE A 59 -3.874 -1.990 6.017 1.00 0.61 H new ATOM 0 HA ILE A 59 -2.150 0.145 6.531 1.00 0.60 H new ATOM 0 HB ILE A 59 -4.497 -1.061 7.923 1.00 0.60 H new ATOM 0 HG12 ILE A 59 -4.074 1.750 6.823 1.00 0.67 H new ATOM 0 HG13 ILE A 59 -4.446 0.427 5.736 1.00 0.67 H new ATOM 0 HG21 ILE A 59 -4.518 0.804 9.506 1.00 0.59 H new ATOM 0 HG22 ILE A 59 -3.114 -0.263 9.745 1.00 0.59 H new ATOM 0 HG23 ILE A 59 -2.910 1.308 8.935 1.00 0.59 H new ATOM 0 HD11 ILE A 59 -6.501 1.621 6.398 1.00 0.66 H new ATOM 0 HD12 ILE A 59 -6.528 -0.051 7.009 1.00 0.66 H new ATOM 0 HD13 ILE A 59 -6.151 1.294 8.112 1.00 0.66 H new ATOM 913 N HIS A 60 -1.735 -2.377 8.635 1.00 0.58 N ATOM 914 CA HIS A 60 -0.821 -2.901 9.638 1.00 0.60 C ATOM 915 C HIS A 60 0.516 -3.280 9.010 1.00 0.56 C ATOM 916 O HIS A 60 1.574 -3.093 9.612 1.00 0.55 O ATOM 917 CB HIS A 60 -1.485 -4.046 10.404 1.00 0.72 C ATOM 918 CG HIS A 60 -2.716 -3.580 11.143 1.00 1.25 C ATOM 919 ND1 HIS A 60 -2.877 -2.353 11.752 1.00 2.77 N ATOM 920 CD2 HIS A 60 -3.909 -4.245 11.233 1.00 1.16 C ATOM 921 CE1 HIS A 60 -4.142 -2.289 12.198 1.00 3.00 C ATOM 922 NE2 HIS A 60 -4.813 -3.419 11.909 1.00 1.96 N ATOM 0 H HIS A 60 -2.550 -2.966 8.461 1.00 0.58 H new ATOM 0 HA HIS A 60 -0.595 -2.125 10.369 1.00 0.60 H new ATOM 0 HB2 HIS A 60 -1.756 -4.840 9.709 1.00 0.72 H new ATOM 0 HB3 HIS A 60 -0.774 -4.471 11.112 1.00 0.72 H new ATOM 0 HD1 HIS A 60 -2.166 -1.628 11.846 1.00 2.77 H new ATOM 0 HD2 HIS A 60 -4.116 -5.233 10.850 1.00 1.16 H new ATOM 0 HE1 HIS A 60 -4.565 -1.443 12.719 1.00 3.00 H new ATOM 930 N THR A 61 0.478 -3.765 7.771 1.00 0.59 N ATOM 931 CA THR A 61 1.692 -4.003 7.008 1.00 0.66 C ATOM 932 C THR A 61 2.488 -2.694 6.858 1.00 0.65 C ATOM 933 O THR A 61 3.670 -2.643 7.188 1.00 0.71 O ATOM 934 CB THR A 61 1.318 -4.659 5.670 1.00 0.75 C ATOM 935 OG1 THR A 61 0.656 -5.881 5.920 1.00 0.83 O ATOM 936 CG2 THR A 61 2.541 -4.953 4.797 1.00 0.81 C ATOM 0 H THR A 61 -0.383 -4.000 7.277 1.00 0.59 H new ATOM 0 HA THR A 61 2.353 -4.694 7.530 1.00 0.66 H new ATOM 0 HB THR A 61 0.678 -3.956 5.137 1.00 0.75 H new ATOM 0 HG1 THR A 61 -0.266 -5.702 6.200 1.00 0.83 H new ATOM 0 HG21 THR A 61 2.219 -5.416 3.864 1.00 0.81 H new ATOM 0 HG22 THR A 61 3.064 -4.022 4.579 1.00 0.81 H new ATOM 0 HG23 THR A 61 3.211 -5.631 5.326 1.00 0.81 H new ATOM 944 N ILE A 62 1.856 -1.622 6.382 1.00 0.62 N ATOM 945 CA ILE A 62 2.524 -0.348 6.136 1.00 0.63 C ATOM 946 C ILE A 62 3.001 0.286 7.456 1.00 0.59 C ATOM 947 O ILE A 62 4.115 0.814 7.518 1.00 0.63 O ATOM 948 CB ILE A 62 1.601 0.572 5.318 1.00 0.66 C ATOM 949 CG1 ILE A 62 1.241 0.000 3.930 1.00 0.79 C ATOM 950 CG2 ILE A 62 2.234 1.954 5.150 1.00 0.70 C ATOM 951 CD1 ILE A 62 2.347 0.120 2.874 1.00 1.51 C ATOM 0 H ILE A 62 0.861 -1.614 6.156 1.00 0.62 H new ATOM 0 HA ILE A 62 3.423 -0.512 5.542 1.00 0.63 H new ATOM 0 HB ILE A 62 0.673 0.649 5.885 1.00 0.66 H new ATOM 0 HG12 ILE A 62 0.980 -1.052 4.044 1.00 0.79 H new ATOM 0 HG13 ILE A 62 0.351 0.511 3.562 1.00 0.79 H new ATOM 0 HG21 ILE A 62 1.567 2.591 4.569 1.00 0.70 H new ATOM 0 HG22 ILE A 62 2.399 2.400 6.131 1.00 0.70 H new ATOM 0 HG23 ILE A 62 3.187 1.857 4.630 1.00 0.70 H new ATOM 0 HD11 ILE A 62 2.000 -0.309 1.934 1.00 1.51 H new ATOM 0 HD12 ILE A 62 2.594 1.171 2.724 1.00 1.51 H new ATOM 0 HD13 ILE A 62 3.233 -0.417 3.213 1.00 1.51 H new ATOM 963 N GLU A 63 2.190 0.204 8.515 1.00 0.52 N ATOM 964 CA GLU A 63 2.584 0.581 9.867 1.00 0.48 C ATOM 965 C GLU A 63 3.866 -0.163 10.243 1.00 0.47 C ATOM 966 O GLU A 63 4.856 0.462 10.616 1.00 0.49 O ATOM 967 CB GLU A 63 1.448 0.282 10.859 1.00 0.51 C ATOM 968 CG GLU A 63 0.255 1.236 10.674 1.00 1.24 C ATOM 969 CD GLU A 63 -0.991 0.826 11.459 1.00 1.89 C ATOM 970 OE1 GLU A 63 -1.053 -0.339 11.915 1.00 2.46 O ATOM 971 OE2 GLU A 63 -1.889 1.685 11.572 1.00 3.10 O ATOM 0 H GLU A 63 1.229 -0.131 8.452 1.00 0.52 H new ATOM 0 HA GLU A 63 2.779 1.653 9.908 1.00 0.48 H new ATOM 0 HB2 GLU A 63 1.113 -0.747 10.727 1.00 0.51 H new ATOM 0 HB3 GLU A 63 1.825 0.367 11.878 1.00 0.51 H new ATOM 0 HG2 GLU A 63 0.553 2.239 10.981 1.00 1.24 H new ATOM 0 HG3 GLU A 63 0.005 1.288 9.614 1.00 1.24 H new ATOM 978 N SER A 64 3.877 -1.492 10.094 1.00 0.50 N ATOM 979 CA SER A 64 5.060 -2.310 10.348 1.00 0.54 C ATOM 980 C SER A 64 6.259 -1.823 9.517 1.00 0.60 C ATOM 981 O SER A 64 7.368 -1.695 10.032 1.00 0.76 O ATOM 982 CB SER A 64 4.728 -3.789 10.100 1.00 0.62 C ATOM 983 OG SER A 64 5.778 -4.623 10.550 1.00 1.69 O ATOM 0 H SER A 64 3.063 -2.028 9.793 1.00 0.50 H new ATOM 0 HA SER A 64 5.354 -2.207 11.393 1.00 0.54 H new ATOM 0 HB2 SER A 64 3.804 -4.050 10.616 1.00 0.62 H new ATOM 0 HB3 SER A 64 4.557 -3.954 9.036 1.00 0.62 H new ATOM 0 HG SER A 64 5.545 -5.560 10.384 1.00 1.69 H new ATOM 989 N LEU A 65 6.045 -1.504 8.234 1.00 0.61 N ATOM 990 CA LEU A 65 7.091 -0.938 7.385 1.00 0.71 C ATOM 991 C LEU A 65 7.504 0.483 7.793 1.00 0.76 C ATOM 992 O LEU A 65 8.518 0.972 7.284 1.00 1.09 O ATOM 993 CB LEU A 65 6.681 -0.978 5.906 1.00 0.77 C ATOM 994 CG LEU A 65 6.494 -2.400 5.355 1.00 0.78 C ATOM 995 CD1 LEU A 65 6.031 -2.310 3.900 1.00 1.08 C ATOM 996 CD2 LEU A 65 7.776 -3.242 5.418 1.00 0.85 C ATOM 0 H LEU A 65 5.149 -1.631 7.763 1.00 0.61 H new ATOM 0 HA LEU A 65 7.969 -1.568 7.528 1.00 0.71 H new ATOM 0 HB2 LEU A 65 5.751 -0.424 5.781 1.00 0.77 H new ATOM 0 HB3 LEU A 65 7.439 -0.465 5.314 1.00 0.77 H new ATOM 0 HG LEU A 65 5.751 -2.895 5.981 1.00 0.78 H new ATOM 0 HD11 LEU A 65 5.895 -3.314 3.499 1.00 1.08 H new ATOM 0 HD12 LEU A 65 5.086 -1.769 3.852 1.00 1.08 H new ATOM 0 HD13 LEU A 65 6.782 -1.783 3.311 1.00 1.08 H new ATOM 0 HD21 LEU A 65 7.579 -4.235 5.015 1.00 0.85 H new ATOM 0 HD22 LEU A 65 8.557 -2.760 4.830 1.00 0.85 H new ATOM 0 HD23 LEU A 65 8.103 -3.329 6.454 1.00 0.85 H new ATOM 1008 N GLY A 66 6.763 1.129 8.697 1.00 0.58 N ATOM 1009 CA GLY A 66 7.148 2.371 9.342 1.00 0.59 C ATOM 1010 C GLY A 66 6.576 3.603 8.647 1.00 0.55 C ATOM 1011 O GLY A 66 7.204 4.658 8.699 1.00 0.67 O ATOM 0 H GLY A 66 5.853 0.786 9.004 1.00 0.58 H new ATOM 0 HA2 GLY A 66 6.811 2.356 10.379 1.00 0.59 H new ATOM 0 HA3 GLY A 66 8.235 2.443 9.361 1.00 0.59 H new ATOM 1015 N PHE A 67 5.398 3.490 8.020 1.00 0.46 N ATOM 1016 CA PHE A 67 4.733 4.627 7.380 1.00 0.43 C ATOM 1017 C PHE A 67 3.265 4.685 7.800 1.00 0.43 C ATOM 1018 O PHE A 67 2.753 3.709 8.342 1.00 0.52 O ATOM 1019 CB PHE A 67 4.877 4.513 5.859 1.00 0.42 C ATOM 1020 CG PHE A 67 6.294 4.272 5.375 1.00 0.44 C ATOM 1021 CD1 PHE A 67 7.303 5.200 5.690 1.00 1.93 C ATOM 1022 CD2 PHE A 67 6.608 3.132 4.610 1.00 1.56 C ATOM 1023 CE1 PHE A 67 8.604 5.026 5.195 1.00 2.02 C ATOM 1024 CE2 PHE A 67 7.910 2.960 4.109 1.00 1.52 C ATOM 1025 CZ PHE A 67 8.899 3.920 4.383 1.00 0.66 C ATOM 0 H PHE A 67 4.884 2.613 7.943 1.00 0.46 H new ATOM 0 HA PHE A 67 5.205 5.556 7.701 1.00 0.43 H new ATOM 0 HB2 PHE A 67 4.244 3.699 5.507 1.00 0.42 H new ATOM 0 HB3 PHE A 67 4.502 5.429 5.402 1.00 0.42 H new ATOM 0 HD1 PHE A 67 7.075 6.050 6.316 1.00 1.93 H new ATOM 0 HD2 PHE A 67 5.849 2.391 4.408 1.00 1.56 H new ATOM 0 HE1 PHE A 67 9.376 5.741 5.438 1.00 2.02 H new ATOM 0 HE2 PHE A 67 8.150 2.091 3.514 1.00 1.52 H new ATOM 0 HZ PHE A 67 9.889 3.806 3.967 1.00 0.66 H new ATOM 1035 N GLU A 68 2.593 5.817 7.556 1.00 0.47 N ATOM 1036 CA GLU A 68 1.246 6.090 8.033 1.00 0.53 C ATOM 1037 C GLU A 68 0.240 6.036 6.871 1.00 0.55 C ATOM 1038 O GLU A 68 0.140 7.009 6.121 1.00 0.60 O ATOM 1039 CB GLU A 68 1.229 7.495 8.633 1.00 0.71 C ATOM 1040 CG GLU A 68 2.314 7.775 9.681 1.00 1.29 C ATOM 1041 CD GLU A 68 2.363 9.265 9.991 1.00 2.08 C ATOM 1042 OE1 GLU A 68 3.049 9.976 9.223 1.00 3.31 O ATOM 1043 OE2 GLU A 68 1.685 9.670 10.957 1.00 2.33 O ATOM 0 H GLU A 68 2.987 6.582 7.008 1.00 0.47 H new ATOM 0 HA GLU A 68 0.966 5.342 8.775 1.00 0.53 H new ATOM 0 HB2 GLU A 68 1.333 8.219 7.824 1.00 0.71 H new ATOM 0 HB3 GLU A 68 0.254 7.665 9.089 1.00 0.71 H new ATOM 0 HG2 GLU A 68 2.107 7.212 10.591 1.00 1.29 H new ATOM 0 HG3 GLU A 68 3.283 7.439 9.312 1.00 1.29 H new ATOM 1050 N PRO A 69 -0.505 4.935 6.693 1.00 0.60 N ATOM 1051 CA PRO A 69 -1.439 4.763 5.589 1.00 0.67 C ATOM 1052 C PRO A 69 -2.774 5.452 5.885 1.00 0.77 C ATOM 1053 O PRO A 69 -3.634 4.894 6.562 1.00 1.06 O ATOM 1054 CB PRO A 69 -1.594 3.249 5.447 1.00 0.70 C ATOM 1055 CG PRO A 69 -1.418 2.754 6.879 1.00 0.68 C ATOM 1056 CD PRO A 69 -0.423 3.727 7.494 1.00 0.63 C ATOM 0 HA PRO A 69 -1.082 5.218 4.665 1.00 0.67 H new ATOM 0 HB2 PRO A 69 -2.570 2.979 5.043 1.00 0.70 H new ATOM 0 HB3 PRO A 69 -0.844 2.827 4.778 1.00 0.70 H new ATOM 0 HG2 PRO A 69 -2.364 2.758 7.420 1.00 0.68 H new ATOM 0 HG3 PRO A 69 -1.041 1.732 6.903 1.00 0.68 H new ATOM 0 HD2 PRO A 69 -0.669 3.931 8.536 1.00 0.63 H new ATOM 0 HD3 PRO A 69 0.586 3.316 7.479 1.00 0.63 H new ATOM 1064 N SER A 70 -2.971 6.656 5.345 1.00 0.79 N ATOM 1065 CA SER A 70 -4.228 7.374 5.442 1.00 0.86 C ATOM 1066 C SER A 70 -5.070 6.983 4.231 1.00 0.66 C ATOM 1067 O SER A 70 -4.650 7.197 3.094 1.00 0.51 O ATOM 1068 CB SER A 70 -3.949 8.879 5.472 1.00 1.06 C ATOM 1069 OG SER A 70 -5.130 9.615 5.717 1.00 2.46 O ATOM 0 H SER A 70 -2.252 7.158 4.825 1.00 0.79 H new ATOM 0 HA SER A 70 -4.767 7.122 6.355 1.00 0.86 H new ATOM 0 HB2 SER A 70 -3.213 9.099 6.246 1.00 1.06 H new ATOM 0 HB3 SER A 70 -3.515 9.190 4.522 1.00 1.06 H new ATOM 0 HG SER A 70 -4.921 10.572 5.732 1.00 2.46 H new ATOM 1075 N LEU A 71 -6.241 6.393 4.457 1.00 0.84 N ATOM 1076 CA LEU A 71 -7.160 6.082 3.373 1.00 0.86 C ATOM 1077 C LEU A 71 -7.752 7.390 2.855 1.00 0.99 C ATOM 1078 O LEU A 71 -8.383 8.111 3.624 1.00 1.66 O ATOM 1079 CB LEU A 71 -8.274 5.139 3.848 1.00 1.18 C ATOM 1080 CG LEU A 71 -7.777 3.834 4.489 1.00 1.29 C ATOM 1081 CD1 LEU A 71 -8.975 2.904 4.708 1.00 1.45 C ATOM 1082 CD2 LEU A 71 -6.727 3.133 3.622 1.00 2.82 C ATOM 0 H LEU A 71 -6.573 6.122 5.382 1.00 0.84 H new ATOM 0 HA LEU A 71 -6.622 5.572 2.574 1.00 0.86 H new ATOM 0 HB2 LEU A 71 -8.897 5.668 4.569 1.00 1.18 H new ATOM 0 HB3 LEU A 71 -8.910 4.892 2.998 1.00 1.18 H new ATOM 0 HG LEU A 71 -7.302 4.078 5.440 1.00 1.29 H new ATOM 0 HD11 LEU A 71 -8.635 1.974 5.163 1.00 1.45 H new ATOM 0 HD12 LEU A 71 -9.696 3.388 5.367 1.00 1.45 H new ATOM 0 HD13 LEU A 71 -9.448 2.688 3.750 1.00 1.45 H new ATOM 0 HD21 LEU A 71 -6.403 2.215 4.113 1.00 2.82 H new ATOM 0 HD22 LEU A 71 -7.159 2.892 2.651 1.00 2.82 H new ATOM 0 HD23 LEU A 71 -5.870 3.792 3.484 1.00 2.82 H new ATOM 1094 N VAL A 72 -7.524 7.712 1.577 1.00 1.12 N ATOM 1095 CA VAL A 72 -8.146 8.870 0.931 1.00 1.32 C ATOM 1096 C VAL A 72 -8.670 8.464 -0.454 1.00 1.46 C ATOM 1097 O VAL A 72 -8.576 9.232 -1.412 1.00 2.59 O ATOM 1098 CB VAL A 72 -7.179 10.080 0.876 1.00 1.70 C ATOM 1099 CG1 VAL A 72 -7.957 11.396 0.690 1.00 2.44 C ATOM 1100 CG2 VAL A 72 -6.335 10.233 2.153 1.00 2.13 C ATOM 0 H VAL A 72 -6.906 7.179 0.965 1.00 1.12 H new ATOM 0 HA VAL A 72 -8.996 9.200 1.528 1.00 1.32 H new ATOM 0 HB VAL A 72 -6.520 9.883 0.030 1.00 1.70 H new ATOM 0 HG11 VAL A 72 -7.257 12.231 0.654 1.00 2.44 H new ATOM 0 HG12 VAL A 72 -8.522 11.356 -0.241 1.00 2.44 H new ATOM 0 HG13 VAL A 72 -8.644 11.534 1.525 1.00 2.44 H new ATOM 0 HG21 VAL A 72 -5.678 11.097 2.054 1.00 2.13 H new ATOM 0 HG22 VAL A 72 -6.994 10.375 3.010 1.00 2.13 H new ATOM 0 HG23 VAL A 72 -5.734 9.336 2.302 1.00 2.13 H new