USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 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 21 ASN : amide:sc= 0.0702 K(o=0.44,f=-7.1!) USER MOD Set 1.2: A 23 SER OG : rot -86:sc= 0.374 USER MOD Set 2.1: A 10 TYR OH : rot 130:sc= 0.92 USER MOD Set 2.2: A 34 LYS NZ :NH3+ 166:sc= 1.09 (180deg=0) USER MOD Single : A 16 SER OG : rot 42:sc= 0.634 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-2.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -2.29! C(o=-2.3!,f=-7!) USER MOD Single : A 49 SER OG : rot -61:sc= -1.8! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.534 K(o=-0.53,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 9 3.808 -4.755 -1.451 1.00 0.00 N ATOM 78 CA GLY A 9 2.481 -4.197 -1.268 1.00 0.00 C ATOM 79 C GLY A 9 2.517 -2.770 -0.758 1.00 0.00 C ATOM 80 O GLY A 9 2.796 -2.531 0.417 1.00 0.00 O ATOM 0 HA2 GLY A 9 1.944 -4.227 -2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.923 -4.817 -0.566 1.00 0.00 H new ATOM 84 N TYR A 10 2.237 -1.820 -1.642 1.00 0.00 N ATOM 85 CA TYR A 10 2.243 -0.409 -1.276 1.00 0.00 C ATOM 86 C TYR A 10 1.034 0.312 -1.865 1.00 0.00 C ATOM 87 O TYR A 10 0.746 0.195 -3.056 1.00 0.00 O ATOM 88 CB TYR A 10 3.533 0.259 -1.756 1.00 0.00 C ATOM 89 CG TYR A 10 4.655 0.205 -0.744 1.00 0.00 C ATOM 90 CD1 TYR A 10 5.347 -0.976 -0.507 1.00 0.00 C ATOM 91 CD2 TYR A 10 5.023 1.335 -0.024 1.00 0.00 C ATOM 92 CE1 TYR A 10 6.373 -1.031 0.417 1.00 0.00 C ATOM 93 CE2 TYR A 10 6.048 1.290 0.901 1.00 0.00 C ATOM 94 CZ TYR A 10 6.720 0.106 1.118 1.00 0.00 C ATOM 95 OH TYR A 10 7.741 0.057 2.039 1.00 0.00 O ATOM 0 H TYR A 10 2.003 -2.001 -2.618 1.00 0.00 H new ATOM 0 HA TYR A 10 2.190 -0.342 -0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.862 -0.224 -2.676 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.324 1.301 -1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.078 -1.867 -1.055 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.499 2.264 -0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.900 -1.958 0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.322 2.178 1.451 1.00 0.00 H new ATOM 0 HH TYR A 10 8.368 0.791 1.871 1.00 0.00 H new ATOM 105 N VAL A 11 0.330 1.060 -1.020 1.00 0.00 N ATOM 106 CA VAL A 11 -0.847 1.802 -1.456 1.00 0.00 C ATOM 107 C VAL A 11 -0.722 3.282 -1.111 1.00 0.00 C ATOM 108 O VAL A 11 -0.077 3.648 -0.128 1.00 0.00 O ATOM 109 CB VAL A 11 -2.132 1.244 -0.815 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.319 -0.220 -1.182 1.00 0.00 C ATOM 111 CG2 VAL A 11 -2.094 1.422 0.696 1.00 0.00 C ATOM 0 H VAL A 11 0.554 1.168 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.910 1.688 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.983 1.803 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.232 -0.597 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.393 -0.317 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.466 -0.797 -0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.009 1.022 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.235 0.889 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.011 2.482 0.935 1.00 0.00 H new ATOM 121 N ILE A 12 -1.342 4.128 -1.926 1.00 0.00 N ATOM 122 CA ILE A 12 -1.302 5.568 -1.706 1.00 0.00 C ATOM 123 C ILE A 12 -2.664 6.097 -1.269 1.00 0.00 C ATOM 124 O ILE A 12 -3.694 5.478 -1.533 1.00 0.00 O ATOM 125 CB ILE A 12 -0.856 6.319 -2.975 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.539 7.779 -2.645 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.932 6.234 -4.046 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.209 8.499 -3.745 1.00 0.00 C ATOM 0 H ILE A 12 -1.878 3.841 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.575 5.745 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 12 0.049 5.848 -3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.471 8.308 -2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.052 7.816 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.602 6.769 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.114 5.189 -4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.853 6.683 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.400 9.529 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.157 7.994 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.390 8.494 -4.656 1.00 0.00 H new ATOM 140 N ALA A 13 -2.660 7.245 -0.600 1.00 0.00 N ATOM 141 CA ALA A 13 -3.895 7.859 -0.129 1.00 0.00 C ATOM 142 C ALA A 13 -4.547 8.693 -1.227 1.00 0.00 C ATOM 143 O ALA A 13 -3.922 9.591 -1.792 1.00 0.00 O ATOM 144 CB ALA A 13 -3.624 8.717 1.098 1.00 0.00 C ATOM 0 H ALA A 13 -1.815 7.769 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.586 7.062 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.555 9.169 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.210 8.096 1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.912 9.502 0.843 1.00 0.00 H new ATOM 150 N LEU A 14 -5.806 8.389 -1.525 1.00 0.00 N ATOM 151 CA LEU A 14 -6.542 9.111 -2.557 1.00 0.00 C ATOM 152 C LEU A 14 -7.105 10.419 -2.010 1.00 0.00 C ATOM 153 O LEU A 14 -7.271 11.391 -2.748 1.00 0.00 O ATOM 154 CB LEU A 14 -7.678 8.243 -3.102 1.00 0.00 C ATOM 155 CG LEU A 14 -7.258 6.953 -3.807 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.422 5.978 -3.875 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.731 7.256 -5.203 1.00 0.00 C ATOM 0 H LEU A 14 -6.338 7.649 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.850 9.344 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.339 7.983 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.263 8.841 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.457 6.490 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.104 5.066 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.754 5.737 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.244 6.431 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.437 6.327 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.511 7.742 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.867 7.917 -5.130 1.00 0.00 H new ATOM 169 N ARG A 15 -7.393 10.437 -0.713 1.00 0.00 N ATOM 170 CA ARG A 15 -7.935 11.627 -0.067 1.00 0.00 C ATOM 171 C ARG A 15 -7.236 11.890 1.263 1.00 0.00 C ATOM 172 O ARG A 15 -6.416 11.090 1.714 1.00 0.00 O ATOM 173 CB ARG A 15 -9.440 11.470 0.158 1.00 0.00 C ATOM 174 CG ARG A 15 -9.831 10.121 0.740 1.00 0.00 C ATOM 175 CD ARG A 15 -11.223 10.161 1.352 1.00 0.00 C ATOM 176 NE ARG A 15 -11.350 11.216 2.354 1.00 0.00 N ATOM 177 CZ ARG A 15 -12.516 11.682 2.786 1.00 0.00 C ATOM 178 NH1 ARG A 15 -13.650 11.188 2.308 1.00 0.00 N ATOM 179 NH2 ARG A 15 -12.550 12.644 3.700 1.00 0.00 N ATOM 0 H ARG A 15 -7.260 9.641 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.759 12.478 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.783 12.258 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.957 11.611 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.798 9.363 -0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.107 9.827 1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.961 10.318 0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.445 9.197 1.810 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.497 11.617 2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.628 10.448 1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.544 11.548 2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.680 13.026 4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.446 13.001 4.031 1.00 0.00 H new ATOM 193 N SER A 16 -7.566 13.016 1.887 1.00 0.00 N ATOM 194 CA SER A 16 -6.966 13.387 3.163 1.00 0.00 C ATOM 195 C SER A 16 -7.800 12.862 4.328 1.00 0.00 C ATOM 196 O SER A 16 -8.709 13.538 4.810 1.00 0.00 O ATOM 197 CB SER A 16 -6.830 14.908 3.264 1.00 0.00 C ATOM 198 OG SER A 16 -8.084 15.545 3.096 1.00 0.00 O ATOM 0 H SER A 16 -8.246 13.687 1.530 1.00 0.00 H new ATOM 0 HA SER A 16 -5.975 12.936 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.410 15.175 4.234 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.133 15.265 2.506 1.00 0.00 H new ATOM 0 HG SER A 16 -8.771 15.051 3.591 1.00 0.00 H new ATOM 204 N TYR A 17 -7.483 11.652 4.775 1.00 0.00 N ATOM 205 CA TYR A 17 -8.204 11.033 5.882 1.00 0.00 C ATOM 206 C TYR A 17 -7.686 11.544 7.223 1.00 0.00 C ATOM 207 O TYR A 17 -6.653 11.090 7.715 1.00 0.00 O ATOM 208 CB TYR A 17 -8.070 9.511 5.817 1.00 0.00 C ATOM 209 CG TYR A 17 -9.233 8.774 6.443 1.00 0.00 C ATOM 210 CD1 TYR A 17 -10.514 8.884 5.917 1.00 0.00 C ATOM 211 CD2 TYR A 17 -9.050 7.968 7.560 1.00 0.00 C ATOM 212 CE1 TYR A 17 -11.580 8.213 6.486 1.00 0.00 C ATOM 213 CE2 TYR A 17 -10.109 7.293 8.134 1.00 0.00 C ATOM 214 CZ TYR A 17 -11.372 7.418 7.594 1.00 0.00 C ATOM 215 OH TYR A 17 -12.430 6.748 8.164 1.00 0.00 O ATOM 0 H TYR A 17 -6.732 11.080 4.388 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.256 11.303 5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.977 9.207 4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.149 9.214 6.319 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.680 9.504 5.049 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.063 7.868 7.986 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.570 8.311 6.066 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.949 6.670 9.002 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.113 6.232 8.935 1.00 0.00 H new ATOM 225 N ILE A 18 -8.411 12.491 7.808 1.00 0.00 N ATOM 226 CA ILE A 18 -8.027 13.063 9.092 1.00 0.00 C ATOM 227 C ILE A 18 -8.855 12.470 10.228 1.00 0.00 C ATOM 228 O ILE A 18 -10.082 12.576 10.238 1.00 0.00 O ATOM 229 CB ILE A 18 -8.190 14.594 9.098 1.00 0.00 C ATOM 230 CG1 ILE A 18 -7.321 15.225 8.009 1.00 0.00 C ATOM 231 CG2 ILE A 18 -7.831 15.160 10.464 1.00 0.00 C ATOM 232 CD1 ILE A 18 -5.846 14.925 8.163 1.00 0.00 C ATOM 0 H ILE A 18 -9.268 12.878 7.413 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.976 12.817 9.245 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.233 14.834 8.890 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.656 14.868 7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.467 16.305 8.020 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.951 16.243 10.452 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.488 14.730 11.220 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.796 14.912 10.700 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.291 15.404 7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.495 15.307 9.122 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.688 13.847 8.122 1.00 0.00 H new ATOM 244 N THR A 19 -8.176 11.847 11.185 1.00 0.00 N ATOM 245 CA THR A 19 -8.848 11.238 12.326 1.00 0.00 C ATOM 246 C THR A 19 -8.398 11.877 13.635 1.00 0.00 C ATOM 247 O THR A 19 -7.256 12.320 13.760 1.00 0.00 O ATOM 248 CB THR A 19 -8.582 9.722 12.391 1.00 0.00 C ATOM 249 OG1 THR A 19 -7.266 9.477 12.899 1.00 0.00 O ATOM 250 CG2 THR A 19 -8.727 9.087 11.016 1.00 0.00 C ATOM 0 H THR A 19 -7.161 11.751 11.193 1.00 0.00 H new ATOM 0 HA THR A 19 -9.916 11.407 12.190 1.00 0.00 H new ATOM 0 HB THR A 19 -9.318 9.275 13.059 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.105 8.511 12.939 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.534 8.017 11.087 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.739 9.250 10.645 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.012 9.539 10.329 1.00 0.00 H new ATOM 258 N ASP A 20 -9.302 11.923 14.607 1.00 0.00 N ATOM 259 CA ASP A 20 -8.998 12.507 15.908 1.00 0.00 C ATOM 260 C ASP A 20 -8.894 11.426 16.979 1.00 0.00 C ATOM 261 O ASP A 20 -9.002 11.707 18.171 1.00 0.00 O ATOM 262 CB ASP A 20 -10.071 13.526 16.296 1.00 0.00 C ATOM 263 CG ASP A 20 -9.782 14.191 17.628 1.00 0.00 C ATOM 264 OD1 ASP A 20 -8.788 14.942 17.713 1.00 0.00 O ATOM 265 OD2 ASP A 20 -10.550 13.959 18.586 1.00 0.00 O ATOM 0 H ASP A 20 -10.252 11.563 14.519 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.036 13.014 15.835 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.142 14.288 15.520 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.040 13.029 16.344 1.00 0.00 H new ATOM 270 N ASN A 21 -8.685 10.187 16.543 1.00 0.00 N ATOM 271 CA ASN A 21 -8.568 9.063 17.465 1.00 0.00 C ATOM 272 C ASN A 21 -7.323 8.236 17.159 1.00 0.00 C ATOM 273 O ASN A 21 -7.171 7.710 16.056 1.00 0.00 O ATOM 274 CB ASN A 21 -9.814 8.179 17.384 1.00 0.00 C ATOM 275 CG ASN A 21 -10.025 7.360 18.643 1.00 0.00 C ATOM 276 OD1 ASN A 21 -9.068 6.878 19.250 1.00 0.00 O ATOM 277 ND2 ASN A 21 -11.282 7.198 19.040 1.00 0.00 N ATOM 0 H ASN A 21 -8.593 9.937 15.558 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.478 9.461 18.476 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.689 8.805 17.210 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.726 7.509 16.529 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.486 6.656 19.880 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.044 7.616 18.505 1.00 0.00 H new ATOM 284 N CYS A 22 -6.437 8.125 18.142 1.00 0.00 N ATOM 285 CA CYS A 22 -5.205 7.362 17.978 1.00 0.00 C ATOM 286 C CYS A 22 -5.485 6.008 17.333 1.00 0.00 C ATOM 287 O CYS A 22 -4.786 5.594 16.409 1.00 0.00 O ATOM 288 CB CYS A 22 -4.520 7.163 19.331 1.00 0.00 C ATOM 289 SG CYS A 22 -2.760 6.764 19.216 1.00 0.00 S ATOM 0 H CYS A 22 -6.549 8.554 19.061 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.542 7.927 17.322 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.638 8.071 19.923 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.028 6.363 19.869 1.00 0.00 H new ATOM 0 HG CYS A 22 -2.269 6.617 20.411 1.00 0.00 H new ATOM 295 N SER A 23 -6.511 5.324 17.828 1.00 0.00 N ATOM 296 CA SER A 23 -6.881 4.014 17.304 1.00 0.00 C ATOM 297 C SER A 23 -6.768 3.987 15.783 1.00 0.00 C ATOM 298 O SER A 23 -6.240 3.036 15.205 1.00 0.00 O ATOM 299 CB SER A 23 -8.306 3.655 17.727 1.00 0.00 C ATOM 300 OG SER A 23 -9.129 4.808 17.778 1.00 0.00 O ATOM 0 H SER A 23 -7.101 5.655 18.591 1.00 0.00 H new ATOM 0 HA SER A 23 -6.192 3.277 17.716 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.727 2.935 17.025 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.288 3.174 18.705 1.00 0.00 H new ATOM 0 HG SER A 23 -9.037 5.237 18.654 1.00 0.00 H new ATOM 306 N LEU A 24 -7.267 5.036 15.140 1.00 0.00 N ATOM 307 CA LEU A 24 -7.223 5.134 13.685 1.00 0.00 C ATOM 308 C LEU A 24 -5.914 5.765 13.221 1.00 0.00 C ATOM 309 O LEU A 24 -5.036 6.066 14.031 1.00 0.00 O ATOM 310 CB LEU A 24 -8.408 5.956 13.174 1.00 0.00 C ATOM 311 CG LEU A 24 -9.793 5.345 13.391 1.00 0.00 C ATOM 312 CD1 LEU A 24 -10.843 6.436 13.523 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.143 4.399 12.251 1.00 0.00 C ATOM 0 H LEU A 24 -7.707 5.831 15.603 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.284 4.126 13.275 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.383 6.932 13.659 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.272 6.127 12.106 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.776 4.773 14.319 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.822 5.982 13.677 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.601 7.073 14.374 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.860 7.036 12.613 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.132 3.973 12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.142 4.948 11.309 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.406 3.597 12.204 1.00 0.00 H new ATOM 325 N LEU A 25 -5.791 5.965 11.914 1.00 0.00 N ATOM 326 CA LEU A 25 -4.589 6.562 11.341 1.00 0.00 C ATOM 327 C LEU A 25 -4.934 7.809 10.533 1.00 0.00 C ATOM 328 O LEU A 25 -5.912 7.827 9.786 1.00 0.00 O ATOM 329 CB LEU A 25 -3.865 5.549 10.453 1.00 0.00 C ATOM 330 CG LEU A 25 -2.914 6.132 9.407 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.685 6.727 10.077 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.511 5.065 8.399 1.00 0.00 C ATOM 0 H LEU A 25 -6.508 5.723 11.231 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.931 6.852 12.160 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.298 4.874 11.094 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.614 4.947 9.939 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.434 6.928 8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.019 7.137 9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.991 7.521 10.759 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.163 5.950 10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.834 5.498 7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.010 4.247 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.400 4.685 7.896 1.00 0.00 H new ATOM 344 N SER A 26 -4.121 8.850 10.687 1.00 0.00 N ATOM 345 CA SER A 26 -4.341 10.103 9.973 1.00 0.00 C ATOM 346 C SER A 26 -3.281 10.306 8.893 1.00 0.00 C ATOM 347 O SER A 26 -2.082 10.260 9.168 1.00 0.00 O ATOM 348 CB SER A 26 -4.323 11.281 10.949 1.00 0.00 C ATOM 349 OG SER A 26 -4.453 12.514 10.262 1.00 0.00 O ATOM 0 H SER A 26 -3.305 8.851 11.299 1.00 0.00 H new ATOM 0 HA SER A 26 -5.319 10.053 9.494 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.135 11.174 11.668 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.392 11.273 11.516 1.00 0.00 H new ATOM 0 HG SER A 26 -4.440 13.251 10.908 1.00 0.00 H new ATOM 355 N PHE A 27 -3.734 10.530 7.664 1.00 0.00 N ATOM 356 CA PHE A 27 -2.826 10.739 6.542 1.00 0.00 C ATOM 357 C PHE A 27 -3.465 11.636 5.486 1.00 0.00 C ATOM 358 O PHE A 27 -4.685 11.642 5.316 1.00 0.00 O ATOM 359 CB PHE A 27 -2.434 9.398 5.919 1.00 0.00 C ATOM 360 CG PHE A 27 -3.594 8.651 5.325 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.241 9.133 4.198 1.00 0.00 C ATOM 362 CD2 PHE A 27 -4.037 7.467 5.892 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.309 8.448 3.650 1.00 0.00 C ATOM 364 CE2 PHE A 27 -5.104 6.777 5.347 1.00 0.00 C ATOM 365 CZ PHE A 27 -5.740 7.268 4.224 1.00 0.00 C ATOM 0 H PHE A 27 -4.723 10.571 7.420 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.930 11.232 6.919 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.688 9.571 5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.963 8.776 6.681 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.907 10.054 3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.543 7.078 6.770 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.806 8.835 2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.440 5.855 5.799 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.573 6.730 3.795 1.00 0.00 H new ATOM 375 N HIS A 28 -2.632 12.393 4.778 1.00 0.00 N ATOM 376 CA HIS A 28 -3.115 13.294 3.738 1.00 0.00 C ATOM 377 C HIS A 28 -2.990 12.650 2.360 1.00 0.00 C ATOM 378 O HIS A 28 -2.259 11.675 2.184 1.00 0.00 O ATOM 379 CB HIS A 28 -2.336 14.609 3.771 1.00 0.00 C ATOM 380 CG HIS A 28 -2.819 15.565 4.818 1.00 0.00 C ATOM 381 ND1 HIS A 28 -3.268 16.836 4.528 1.00 0.00 N ATOM 382 CD2 HIS A 28 -2.923 15.428 6.161 1.00 0.00 C ATOM 383 CE1 HIS A 28 -3.626 17.440 5.647 1.00 0.00 C ATOM 384 NE2 HIS A 28 -3.427 16.607 6.652 1.00 0.00 N ATOM 0 H HIS A 28 -1.620 12.400 4.906 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.168 13.499 3.930 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.282 14.393 3.946 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.405 15.087 2.794 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.659 14.554 6.738 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -4.015 18.444 5.726 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.617 16.807 7.634 1.00 0.00 H new ATOM 393 N ARG A 29 -3.709 13.201 1.387 1.00 0.00 N ATOM 394 CA ARG A 29 -3.679 12.679 0.026 1.00 0.00 C ATOM 395 C ARG A 29 -2.246 12.588 -0.490 1.00 0.00 C ATOM 396 O ARG A 29 -1.419 13.455 -0.213 1.00 0.00 O ATOM 397 CB ARG A 29 -4.512 13.566 -0.901 1.00 0.00 C ATOM 398 CG ARG A 29 -3.965 14.977 -1.046 1.00 0.00 C ATOM 399 CD ARG A 29 -5.012 15.925 -1.610 1.00 0.00 C ATOM 400 NE ARG A 29 -5.812 16.546 -0.558 1.00 0.00 N ATOM 401 CZ ARG A 29 -5.414 17.603 0.141 1.00 0.00 C ATOM 402 NH1 ARG A 29 -4.232 18.154 -0.100 1.00 0.00 N ATOM 403 NH2 ARG A 29 -6.198 18.112 1.082 1.00 0.00 N ATOM 0 H ARG A 29 -4.319 14.008 1.516 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.106 11.676 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.562 13.102 -1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.532 13.618 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.630 15.340 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.093 14.965 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.520 16.701 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.667 15.379 -2.289 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.727 16.146 -0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.626 17.766 -0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.928 18.966 0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.108 17.692 1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.891 18.924 1.618 1.00 0.00 H new ATOM 417 N GLY A 30 -1.960 11.529 -1.243 1.00 0.00 N ATOM 418 CA GLY A 30 -0.627 11.344 -1.786 1.00 0.00 C ATOM 419 C GLY A 30 0.306 10.657 -0.809 1.00 0.00 C ATOM 420 O GLY A 30 1.226 9.945 -1.213 1.00 0.00 O ATOM 0 H GLY A 30 -2.627 10.797 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.689 10.754 -2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.212 12.314 -2.060 1.00 0.00 H new ATOM 424 N ASP A 31 0.072 10.871 0.481 1.00 0.00 N ATOM 425 CA ASP A 31 0.899 10.268 1.520 1.00 0.00 C ATOM 426 C ASP A 31 0.905 8.747 1.394 1.00 0.00 C ATOM 427 O ASP A 31 -0.056 8.078 1.776 1.00 0.00 O ATOM 428 CB ASP A 31 0.395 10.676 2.905 1.00 0.00 C ATOM 429 CG ASP A 31 1.399 10.372 3.999 1.00 0.00 C ATOM 430 OD1 ASP A 31 2.594 10.685 3.812 1.00 0.00 O ATOM 431 OD2 ASP A 31 0.991 9.822 5.043 1.00 0.00 O ATOM 0 H ASP A 31 -0.684 11.458 0.833 1.00 0.00 H new ATOM 0 HA ASP A 31 1.919 10.630 1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.171 11.743 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.538 10.154 3.117 1.00 0.00 H new ATOM 436 N LEU A 32 1.993 8.208 0.856 1.00 0.00 N ATOM 437 CA LEU A 32 2.125 6.766 0.679 1.00 0.00 C ATOM 438 C LEU A 32 2.014 6.041 2.017 1.00 0.00 C ATOM 439 O LEU A 32 2.815 6.268 2.925 1.00 0.00 O ATOM 440 CB LEU A 32 3.462 6.433 0.015 1.00 0.00 C ATOM 441 CG LEU A 32 3.776 4.946 -0.154 1.00 0.00 C ATOM 442 CD1 LEU A 32 3.125 4.403 -1.417 1.00 0.00 C ATOM 443 CD2 LEU A 32 5.280 4.720 -0.188 1.00 0.00 C ATOM 0 H LEU A 32 2.797 8.748 0.535 1.00 0.00 H new ATOM 0 HA LEU A 32 1.313 6.428 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.483 6.902 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.260 6.888 0.602 1.00 0.00 H new ATOM 0 HG LEU A 32 3.367 4.408 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.359 3.344 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.044 4.531 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.504 4.945 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.485 3.656 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.712 5.270 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.722 5.071 0.744 1.00 0.00 H new ATOM 455 N ILE A 33 1.020 5.166 2.130 1.00 0.00 N ATOM 456 CA ILE A 33 0.808 4.406 3.355 1.00 0.00 C ATOM 457 C ILE A 33 1.526 3.062 3.299 1.00 0.00 C ATOM 458 O ILE A 33 1.177 2.191 2.501 1.00 0.00 O ATOM 459 CB ILE A 33 -0.691 4.164 3.615 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.441 5.496 3.677 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.884 3.380 4.905 1.00 0.00 C ATOM 462 CD1 ILE A 33 -2.912 5.376 3.346 1.00 0.00 C ATOM 0 H ILE A 33 0.349 4.966 1.388 1.00 0.00 H new ATOM 0 HA ILE A 33 1.219 5.001 4.171 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.098 3.577 2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.335 5.917 4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.977 6.198 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.948 3.217 5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.377 2.418 4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.465 3.943 5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.381 6.358 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.027 4.984 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.390 4.699 4.054 1.00 0.00 H new ATOM 474 N LYS A 34 2.531 2.898 4.153 1.00 0.00 N ATOM 475 CA LYS A 34 3.298 1.659 4.204 1.00 0.00 C ATOM 476 C LYS A 34 2.490 0.546 4.863 1.00 0.00 C ATOM 477 O LYS A 34 1.898 0.740 5.926 1.00 0.00 O ATOM 478 CB LYS A 34 4.606 1.876 4.969 1.00 0.00 C ATOM 479 CG LYS A 34 5.640 0.791 4.725 1.00 0.00 C ATOM 480 CD LYS A 34 6.642 0.710 5.865 1.00 0.00 C ATOM 481 CE LYS A 34 7.643 -0.415 5.648 1.00 0.00 C ATOM 482 NZ LYS A 34 8.736 -0.013 4.720 1.00 0.00 N ATOM 0 H LYS A 34 2.833 3.608 4.820 1.00 0.00 H new ATOM 0 HA LYS A 34 3.528 1.361 3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.028 2.840 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.389 1.926 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.140 -0.171 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.165 0.991 3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.172 1.658 5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.113 0.552 6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.070 -0.711 6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.128 -1.287 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.513 -0.702 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.372 0.015 3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.088 0.929 4.985 1.00 0.00 H new ATOM 496 N LEU A 35 2.470 -0.620 4.227 1.00 0.00 N ATOM 497 CA LEU A 35 1.735 -1.766 4.753 1.00 0.00 C ATOM 498 C LEU A 35 2.589 -2.554 5.741 1.00 0.00 C ATOM 499 O LEU A 35 3.639 -3.090 5.381 1.00 0.00 O ATOM 500 CB LEU A 35 1.287 -2.677 3.609 1.00 0.00 C ATOM 501 CG LEU A 35 0.277 -2.078 2.629 1.00 0.00 C ATOM 502 CD1 LEU A 35 -0.108 -3.098 1.569 1.00 0.00 C ATOM 503 CD2 LEU A 35 -0.957 -1.584 3.371 1.00 0.00 C ATOM 0 H LEU A 35 2.954 -0.797 3.347 1.00 0.00 H new ATOM 0 HA LEU A 35 0.856 -1.393 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.170 -2.983 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.854 -3.580 4.039 1.00 0.00 H new ATOM 0 HG LEU A 35 0.742 -1.227 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.827 -2.654 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.781 -3.403 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.554 -3.969 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.665 -1.161 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.424 -2.418 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.667 -0.819 4.091 1.00 0.00 H new ATOM 515 N LEU A 36 2.133 -2.622 6.986 1.00 0.00 N ATOM 516 CA LEU A 36 2.853 -3.347 8.027 1.00 0.00 C ATOM 517 C LEU A 36 2.356 -4.785 8.134 1.00 0.00 C ATOM 518 O LEU A 36 1.183 -5.080 7.901 1.00 0.00 O ATOM 519 CB LEU A 36 2.694 -2.638 9.373 1.00 0.00 C ATOM 520 CG LEU A 36 3.325 -1.250 9.481 1.00 0.00 C ATOM 521 CD1 LEU A 36 2.925 -0.581 10.786 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.840 -1.343 9.370 1.00 0.00 C ATOM 0 H LEU A 36 1.267 -2.184 7.300 1.00 0.00 H new ATOM 0 HA LEU A 36 3.909 -3.367 7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.630 -2.549 9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.125 -3.272 10.148 1.00 0.00 H new ATOM 0 HG LEU A 36 2.956 -0.640 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.384 0.406 10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.840 -0.480 10.825 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.263 -1.189 11.625 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.273 -0.346 9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.226 -1.971 10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.108 -1.780 8.408 1.00 0.00 H new ATOM 534 N PRO A 37 3.266 -5.701 8.496 1.00 0.00 N ATOM 535 CA PRO A 37 2.942 -7.123 8.644 1.00 0.00 C ATOM 536 C PRO A 37 2.049 -7.391 9.851 1.00 0.00 C ATOM 537 O PRO A 37 2.462 -7.206 10.995 1.00 0.00 O ATOM 538 CB PRO A 37 4.311 -7.780 8.836 1.00 0.00 C ATOM 539 CG PRO A 37 5.173 -6.703 9.397 1.00 0.00 C ATOM 540 CD PRO A 37 4.681 -5.419 8.788 1.00 0.00 C ATOM 0 HA PRO A 37 2.386 -7.506 7.788 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.250 -8.631 9.514 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.707 -8.152 7.891 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.101 -6.672 10.484 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.221 -6.875 9.152 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.790 -4.580 9.476 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.235 -5.165 7.884 1.00 0.00 H new ATOM 548 N VAL A 38 0.821 -7.828 9.587 1.00 0.00 N ATOM 549 CA VAL A 38 -0.130 -8.123 10.652 1.00 0.00 C ATOM 550 C VAL A 38 -0.656 -9.550 10.539 1.00 0.00 C ATOM 551 O VAL A 38 -0.684 -10.128 9.453 1.00 0.00 O ATOM 552 CB VAL A 38 -1.320 -7.146 10.628 1.00 0.00 C ATOM 553 CG1 VAL A 38 -1.858 -6.993 9.213 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.414 -7.615 11.574 1.00 0.00 C ATOM 0 H VAL A 38 0.462 -7.985 8.645 1.00 0.00 H new ATOM 0 HA VAL A 38 0.405 -8.009 11.595 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.972 -6.170 10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.698 -6.299 9.216 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.071 -6.607 8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.190 -7.963 8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.247 -6.912 11.544 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.761 -8.602 11.268 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.020 -7.667 12.589 1.00 0.00 H new ATOM 564 N ALA A 39 -1.072 -10.112 11.669 1.00 0.00 N ATOM 565 CA ALA A 39 -1.600 -11.471 11.697 1.00 0.00 C ATOM 566 C ALA A 39 -3.093 -11.486 11.388 1.00 0.00 C ATOM 567 O ALA A 39 -3.564 -12.294 10.586 1.00 0.00 O ATOM 568 CB ALA A 39 -1.332 -12.113 13.050 1.00 0.00 C ATOM 0 H ALA A 39 -1.054 -9.648 12.577 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.091 -12.049 10.926 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.731 -13.127 13.057 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.258 -12.145 13.231 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.815 -11.528 13.833 1.00 0.00 H new ATOM 574 N THR A 40 -3.835 -10.589 12.030 1.00 0.00 N ATOM 575 CA THR A 40 -5.275 -10.500 11.825 1.00 0.00 C ATOM 576 C THR A 40 -5.714 -9.055 11.623 1.00 0.00 C ATOM 577 O THR A 40 -5.348 -8.170 12.398 1.00 0.00 O ATOM 578 CB THR A 40 -6.049 -11.098 13.015 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.450 -10.843 12.867 1.00 0.00 O ATOM 580 CG2 THR A 40 -5.558 -10.511 14.330 1.00 0.00 C ATOM 0 H THR A 40 -3.462 -9.913 12.697 1.00 0.00 H new ATOM 0 HA THR A 40 -5.502 -11.074 10.927 1.00 0.00 H new ATOM 0 HB THR A 40 -5.876 -12.174 13.028 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.935 -11.228 13.627 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.119 -10.948 15.156 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.498 -10.733 14.454 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.705 -9.431 14.324 1.00 0.00 H new ATOM 588 N LEU A 41 -6.501 -8.821 10.578 1.00 0.00 N ATOM 589 CA LEU A 41 -6.991 -7.481 10.274 1.00 0.00 C ATOM 590 C LEU A 41 -8.515 -7.461 10.210 1.00 0.00 C ATOM 591 O LEU A 41 -9.161 -8.508 10.240 1.00 0.00 O ATOM 592 CB LEU A 41 -6.407 -6.991 8.948 1.00 0.00 C ATOM 593 CG LEU A 41 -4.926 -6.610 8.968 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.359 -6.601 7.557 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.733 -5.254 9.631 1.00 0.00 C ATOM 0 H LEU A 41 -6.813 -9.542 9.927 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.670 -6.813 11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.551 -7.771 8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.980 -6.124 8.619 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.386 -7.357 9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.304 -6.328 7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.463 -7.593 7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.903 -5.876 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.673 -4.999 9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.286 -4.496 9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.102 -5.294 10.656 1.00 0.00 H new ATOM 607 N GLU A 42 -9.082 -6.262 10.119 1.00 0.00 N ATOM 608 CA GLU A 42 -10.531 -6.106 10.049 1.00 0.00 C ATOM 609 C GLU A 42 -11.010 -6.126 8.600 1.00 0.00 C ATOM 610 O GLU A 42 -10.260 -5.836 7.668 1.00 0.00 O ATOM 611 CB GLU A 42 -10.959 -4.800 10.722 1.00 0.00 C ATOM 612 CG GLU A 42 -11.218 -4.940 12.212 1.00 0.00 C ATOM 613 CD GLU A 42 -9.944 -4.889 13.033 1.00 0.00 C ATOM 614 OE1 GLU A 42 -9.172 -3.921 12.872 1.00 0.00 O ATOM 615 OE2 GLU A 42 -9.719 -5.818 13.837 1.00 0.00 O ATOM 0 H GLU A 42 -8.561 -5.385 10.092 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.987 -6.944 10.576 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.184 -4.049 10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.863 -4.431 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.887 -4.143 12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.730 -5.884 12.401 1.00 0.00 H new ATOM 622 N PRO A 43 -12.290 -6.477 8.406 1.00 0.00 N ATOM 623 CA PRO A 43 -12.899 -6.543 7.074 1.00 0.00 C ATOM 624 C PRO A 43 -13.080 -5.164 6.450 1.00 0.00 C ATOM 625 O PRO A 43 -13.863 -4.349 6.938 1.00 0.00 O ATOM 626 CB PRO A 43 -14.259 -7.193 7.338 1.00 0.00 C ATOM 627 CG PRO A 43 -14.565 -6.868 8.759 1.00 0.00 C ATOM 628 CD PRO A 43 -13.241 -6.835 9.471 1.00 0.00 C ATOM 0 HA PRO A 43 -12.277 -7.094 6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.023 -6.798 6.668 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.221 -8.270 7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.075 -5.908 8.839 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.225 -7.617 9.197 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.236 -6.101 10.277 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.000 -7.800 9.917 1.00 0.00 H new ATOM 636 N GLY A 44 -12.352 -4.908 5.368 1.00 0.00 N ATOM 637 CA GLY A 44 -12.447 -3.626 4.695 1.00 0.00 C ATOM 638 C GLY A 44 -11.497 -2.596 5.272 1.00 0.00 C ATOM 639 O GLY A 44 -11.412 -1.473 4.775 1.00 0.00 O ATOM 0 H GLY A 44 -11.697 -5.566 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.233 -3.759 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.469 -3.255 4.770 1.00 0.00 H new ATOM 643 N TRP A 45 -10.783 -2.977 6.325 1.00 0.00 N ATOM 644 CA TRP A 45 -9.835 -2.076 6.972 1.00 0.00 C ATOM 645 C TRP A 45 -8.406 -2.397 6.551 1.00 0.00 C ATOM 646 O TRP A 45 -8.146 -3.438 5.948 1.00 0.00 O ATOM 647 CB TRP A 45 -9.966 -2.173 8.493 1.00 0.00 C ATOM 648 CG TRP A 45 -11.240 -1.584 9.018 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.450 -2.209 9.124 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.431 -0.252 9.507 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.381 -1.346 9.649 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.781 -0.139 9.894 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.593 0.856 9.658 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -13.309 1.037 10.419 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -11.119 2.023 10.179 1.00 0.00 C ATOM 656 CH2 TRP A 45 -12.466 2.106 10.555 1.00 0.00 C ATOM 0 H TRP A 45 -10.842 -3.903 6.749 1.00 0.00 H new ATOM 0 HA TRP A 45 -10.066 -1.058 6.658 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.909 -3.220 8.789 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.121 -1.664 8.957 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.646 -3.232 8.837 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.360 -1.568 9.828 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.553 0.801 9.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.347 1.103 10.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.481 2.886 10.298 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.846 3.032 10.960 1.00 0.00 H new ATOM 667 N GLN A 46 -7.482 -1.497 6.873 1.00 0.00 N ATOM 668 CA GLN A 46 -6.079 -1.685 6.527 1.00 0.00 C ATOM 669 C GLN A 46 -5.170 -1.161 7.634 1.00 0.00 C ATOM 670 O GLN A 46 -5.355 -0.049 8.129 1.00 0.00 O ATOM 671 CB GLN A 46 -5.757 -0.978 5.209 1.00 0.00 C ATOM 672 CG GLN A 46 -6.254 -1.724 3.982 1.00 0.00 C ATOM 673 CD GLN A 46 -5.637 -1.209 2.696 1.00 0.00 C ATOM 674 OE1 GLN A 46 -6.012 -0.148 2.196 1.00 0.00 O ATOM 675 NE2 GLN A 46 -4.685 -1.959 2.154 1.00 0.00 N ATOM 0 H GLN A 46 -7.681 -0.630 7.373 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.900 -2.754 6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.200 0.018 5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.678 -0.846 5.131 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.027 -2.785 4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.339 -1.634 3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.406 -2.831 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.233 -1.663 1.289 1.00 0.00 H new ATOM 684 N PHE A 47 -4.187 -1.969 8.018 1.00 0.00 N ATOM 685 CA PHE A 47 -3.250 -1.587 9.068 1.00 0.00 C ATOM 686 C PHE A 47 -1.893 -1.216 8.477 1.00 0.00 C ATOM 687 O PHE A 47 -1.230 -2.042 7.850 1.00 0.00 O ATOM 688 CB PHE A 47 -3.086 -2.728 10.074 1.00 0.00 C ATOM 689 CG PHE A 47 -2.092 -2.431 11.161 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.375 -1.491 12.139 1.00 0.00 C ATOM 691 CD2 PHE A 47 -0.875 -3.091 11.204 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.462 -1.215 13.139 1.00 0.00 C ATOM 693 CE2 PHE A 47 0.042 -2.820 12.202 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.252 -1.881 13.171 1.00 0.00 C ATOM 0 H PHE A 47 -4.019 -2.892 7.618 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.654 -0.714 9.581 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.054 -2.944 10.527 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.774 -3.628 9.543 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.320 -0.968 12.120 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.640 -3.826 10.449 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.694 -0.479 13.895 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.987 -3.342 12.224 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.463 -1.668 13.952 1.00 0.00 H new ATOM 704 N GLY A 48 -1.486 0.033 8.681 1.00 0.00 N ATOM 705 CA GLY A 48 -0.211 0.492 8.162 1.00 0.00 C ATOM 706 C GLY A 48 0.334 1.680 8.930 1.00 0.00 C ATOM 707 O GLY A 48 -0.241 2.093 9.938 1.00 0.00 O ATOM 0 H GLY A 48 -2.017 0.735 9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.510 -0.325 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.326 0.763 7.113 1.00 0.00 H new ATOM 711 N SER A 49 1.447 2.230 8.455 1.00 0.00 N ATOM 712 CA SER A 49 2.073 3.374 9.108 1.00 0.00 C ATOM 713 C SER A 49 2.319 4.502 8.109 1.00 0.00 C ATOM 714 O SER A 49 3.049 4.333 7.133 1.00 0.00 O ATOM 715 CB SER A 49 3.393 2.958 9.759 1.00 0.00 C ATOM 716 OG SER A 49 3.180 2.458 11.068 1.00 0.00 O ATOM 0 H SER A 49 1.934 1.902 7.621 1.00 0.00 H new ATOM 0 HA SER A 49 1.394 3.736 9.880 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.878 2.196 9.150 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.068 3.813 9.798 1.00 0.00 H new ATOM 0 HG SER A 49 2.773 3.156 11.623 1.00 0.00 H new ATOM 722 N ALA A 50 1.703 5.652 8.362 1.00 0.00 N ATOM 723 CA ALA A 50 1.855 6.808 7.487 1.00 0.00 C ATOM 724 C ALA A 50 2.093 8.080 8.295 1.00 0.00 C ATOM 725 O ALA A 50 1.149 8.705 8.777 1.00 0.00 O ATOM 726 CB ALA A 50 0.629 6.965 6.600 1.00 0.00 C ATOM 0 H ALA A 50 1.094 5.808 9.165 1.00 0.00 H new ATOM 0 HA ALA A 50 2.727 6.642 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.757 7.832 5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.505 6.071 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.255 7.104 7.222 1.00 0.00 H new ATOM 732 N GLY A 51 3.360 8.456 8.439 1.00 0.00 N ATOM 733 CA GLY A 51 3.697 9.651 9.190 1.00 0.00 C ATOM 734 C GLY A 51 4.075 9.347 10.626 1.00 0.00 C ATOM 735 O GLY A 51 3.373 9.741 11.556 1.00 0.00 O ATOM 0 H GLY A 51 4.158 7.955 8.049 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.526 10.162 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.848 10.335 9.178 1.00 0.00 H new ATOM 739 N GLY A 52 5.187 8.640 10.807 1.00 0.00 N ATOM 740 CA GLY A 52 5.635 8.293 12.143 1.00 0.00 C ATOM 741 C GLY A 52 4.487 7.936 13.065 1.00 0.00 C ATOM 742 O GLY A 52 4.551 8.182 14.270 1.00 0.00 O ATOM 0 H GLY A 52 5.785 8.302 10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.325 7.451 12.084 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.190 9.131 12.566 1.00 0.00 H new ATOM 746 N ARG A 53 3.434 7.355 12.500 1.00 0.00 N ATOM 747 CA ARG A 53 2.265 6.967 13.280 1.00 0.00 C ATOM 748 C ARG A 53 1.711 5.629 12.799 1.00 0.00 C ATOM 749 O ARG A 53 2.044 5.163 11.710 1.00 0.00 O ATOM 750 CB ARG A 53 1.182 8.043 13.186 1.00 0.00 C ATOM 751 CG ARG A 53 1.443 9.249 14.074 1.00 0.00 C ATOM 752 CD ARG A 53 0.234 10.170 14.131 1.00 0.00 C ATOM 753 NE ARG A 53 0.205 11.104 13.009 1.00 0.00 N ATOM 754 CZ ARG A 53 -0.279 10.797 11.810 1.00 0.00 C ATOM 755 NH1 ARG A 53 -0.772 9.588 11.580 1.00 0.00 N ATOM 756 NH2 ARG A 53 -0.271 11.701 10.839 1.00 0.00 N ATOM 0 H ARG A 53 3.366 7.143 11.505 1.00 0.00 H new ATOM 0 HA ARG A 53 2.572 6.861 14.320 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.101 8.375 12.151 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.221 7.604 13.456 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.694 8.914 15.080 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.304 9.800 13.697 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.678 9.572 14.129 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.247 10.728 15.067 1.00 0.00 H new ATOM 0 HE ARG A 53 0.576 12.043 13.153 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.781 8.891 12.324 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.143 9.355 10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.107 12.632 11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.643 11.465 9.919 1.00 0.00 H new ATOM 770 N SER A 54 0.864 5.016 13.620 1.00 0.00 N ATOM 771 CA SER A 54 0.267 3.729 13.281 1.00 0.00 C ATOM 772 C SER A 54 -1.218 3.710 13.631 1.00 0.00 C ATOM 773 O SER A 54 -1.616 4.122 14.720 1.00 0.00 O ATOM 774 CB SER A 54 0.990 2.598 14.014 1.00 0.00 C ATOM 775 OG SER A 54 0.793 2.690 15.414 1.00 0.00 O ATOM 0 H SER A 54 0.576 5.390 14.524 1.00 0.00 H new ATOM 0 HA SER A 54 0.371 3.580 12.206 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.625 1.636 13.655 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.056 2.638 13.790 1.00 0.00 H new ATOM 0 HG SER A 54 1.264 1.955 15.860 1.00 0.00 H new ATOM 781 N GLY A 55 -2.034 3.229 12.699 1.00 0.00 N ATOM 782 CA GLY A 55 -3.466 3.164 12.927 1.00 0.00 C ATOM 783 C GLY A 55 -4.183 2.337 11.879 1.00 0.00 C ATOM 784 O GLY A 55 -3.548 1.680 11.054 1.00 0.00 O ATOM 0 H GLY A 55 -1.729 2.883 11.789 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.655 2.739 13.913 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.876 4.174 12.932 1.00 0.00 H new ATOM 788 N LEU A 56 -5.511 2.367 11.911 1.00 0.00 N ATOM 789 CA LEU A 56 -6.317 1.612 10.957 1.00 0.00 C ATOM 790 C LEU A 56 -7.010 2.547 9.971 1.00 0.00 C ATOM 791 O LEU A 56 -7.554 3.582 10.358 1.00 0.00 O ATOM 792 CB LEU A 56 -7.357 0.767 11.695 1.00 0.00 C ATOM 793 CG LEU A 56 -6.855 -0.549 12.287 1.00 0.00 C ATOM 794 CD1 LEU A 56 -6.406 -1.495 11.184 1.00 0.00 C ATOM 795 CD2 LEU A 56 -5.719 -0.294 13.268 1.00 0.00 C ATOM 0 H LEU A 56 -6.052 2.906 12.587 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.653 0.952 10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.778 1.368 12.501 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.171 0.545 11.005 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.677 -1.018 12.827 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.052 -2.427 11.625 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.245 -1.704 10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.599 -1.033 10.615 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.374 -1.242 13.680 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.895 0.198 12.751 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.073 0.345 14.077 1.00 0.00 H new ATOM 807 N PHE A 57 -6.989 2.174 8.696 1.00 0.00 N ATOM 808 CA PHE A 57 -7.617 2.978 7.654 1.00 0.00 C ATOM 809 C PHE A 57 -8.415 2.099 6.695 1.00 0.00 C ATOM 810 O PHE A 57 -8.105 0.926 6.484 1.00 0.00 O ATOM 811 CB PHE A 57 -6.557 3.765 6.879 1.00 0.00 C ATOM 812 CG PHE A 57 -5.594 2.893 6.127 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.517 2.308 6.775 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.764 2.657 4.772 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.629 1.506 6.084 1.00 0.00 C ATOM 816 CE2 PHE A 57 -4.879 1.855 4.077 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.810 1.278 4.734 1.00 0.00 C ATOM 0 H PHE A 57 -6.544 1.320 8.359 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.302 3.678 8.133 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.054 4.434 6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.000 4.392 7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.371 2.481 7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.598 3.105 4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.793 1.057 6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.023 1.680 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.117 0.650 4.193 1.00 0.00 H new ATOM 827 N PRO A 58 -9.469 2.678 6.101 1.00 0.00 N ATOM 828 CA PRO A 58 -10.334 1.966 5.155 1.00 0.00 C ATOM 829 C PRO A 58 -9.630 1.669 3.836 1.00 0.00 C ATOM 830 O PRO A 58 -8.894 2.505 3.312 1.00 0.00 O ATOM 831 CB PRO A 58 -11.494 2.940 4.934 1.00 0.00 C ATOM 832 CG PRO A 58 -10.922 4.284 5.226 1.00 0.00 C ATOM 833 CD PRO A 58 -9.897 4.072 6.306 1.00 0.00 C ATOM 0 HA PRO A 58 -10.642 0.993 5.538 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.869 2.883 3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.331 2.714 5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.466 4.716 4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.698 4.975 5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.063 4.767 6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.323 4.220 7.299 1.00 0.00 H new ATOM 841 N ALA A 59 -9.860 0.472 3.305 1.00 0.00 N ATOM 842 CA ALA A 59 -9.249 0.066 2.045 1.00 0.00 C ATOM 843 C ALA A 59 -10.121 0.462 0.859 1.00 0.00 C ATOM 844 O ALA A 59 -10.147 -0.226 -0.162 1.00 0.00 O ATOM 845 CB ALA A 59 -8.998 -1.435 2.041 1.00 0.00 C ATOM 0 H ALA A 59 -10.464 -0.233 3.727 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.295 0.584 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.542 -1.725 1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.329 -1.694 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.944 -1.962 2.164 1.00 0.00 H new ATOM 851 N ASP A 60 -10.835 1.573 1.000 1.00 0.00 N ATOM 852 CA ASP A 60 -11.709 2.061 -0.060 1.00 0.00 C ATOM 853 C ASP A 60 -11.276 3.448 -0.525 1.00 0.00 C ATOM 854 O ASP A 60 -11.556 3.849 -1.656 1.00 0.00 O ATOM 855 CB ASP A 60 -13.159 2.100 0.423 1.00 0.00 C ATOM 856 CG ASP A 60 -13.830 0.743 0.351 1.00 0.00 C ATOM 857 OD1 ASP A 60 -13.451 -0.149 1.140 1.00 0.00 O ATOM 858 OD2 ASP A 60 -14.735 0.572 -0.492 1.00 0.00 O ATOM 0 H ASP A 60 -10.826 2.153 1.839 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.635 1.375 -0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.187 2.462 1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.721 2.812 -0.181 1.00 0.00 H new ATOM 863 N ILE A 61 -10.595 4.176 0.353 1.00 0.00 N ATOM 864 CA ILE A 61 -10.125 5.517 0.032 1.00 0.00 C ATOM 865 C ILE A 61 -8.643 5.509 -0.328 1.00 0.00 C ATOM 866 O ILE A 61 -7.970 6.538 -0.258 1.00 0.00 O ATOM 867 CB ILE A 61 -10.351 6.489 1.205 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.317 6.244 2.306 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.762 6.337 1.754 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.515 7.115 3.526 1.00 0.00 C ATOM 0 H ILE A 61 -10.356 3.859 1.293 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.704 5.856 -0.827 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.231 7.509 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.359 5.197 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.320 6.420 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.907 7.030 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.484 6.556 0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.907 5.316 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.746 6.887 4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.443 8.164 3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.499 6.923 3.955 1.00 0.00 H new ATOM 882 N VAL A 62 -8.140 4.341 -0.714 1.00 0.00 N ATOM 883 CA VAL A 62 -6.738 4.199 -1.089 1.00 0.00 C ATOM 884 C VAL A 62 -6.588 3.352 -2.348 1.00 0.00 C ATOM 885 O VAL A 62 -7.401 2.466 -2.611 1.00 0.00 O ATOM 886 CB VAL A 62 -5.916 3.560 0.047 1.00 0.00 C ATOM 887 CG1 VAL A 62 -5.859 4.487 1.251 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.499 2.209 0.431 1.00 0.00 C ATOM 0 H VAL A 62 -8.682 3.479 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.359 5.202 -1.283 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.898 3.403 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.274 4.019 2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.392 5.429 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.870 4.679 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.906 1.772 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.527 2.339 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.482 1.546 -0.434 1.00 0.00 H new ATOM 898 N GLN A 63 -5.544 3.631 -3.121 1.00 0.00 N ATOM 899 CA GLN A 63 -5.288 2.895 -4.353 1.00 0.00 C ATOM 900 C GLN A 63 -3.890 2.287 -4.344 1.00 0.00 C ATOM 901 O GLN A 63 -2.961 2.815 -3.733 1.00 0.00 O ATOM 902 CB GLN A 63 -5.449 3.814 -5.565 1.00 0.00 C ATOM 903 CG GLN A 63 -4.311 4.808 -5.730 1.00 0.00 C ATOM 904 CD GLN A 63 -4.316 5.480 -7.089 1.00 0.00 C ATOM 905 OE1 GLN A 63 -5.077 5.101 -7.979 1.00 0.00 O ATOM 906 NE2 GLN A 63 -3.464 6.485 -7.255 1.00 0.00 N ATOM 0 H GLN A 63 -4.862 4.361 -2.916 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.016 2.086 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.521 3.204 -6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.388 4.361 -5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.382 5.569 -4.952 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.361 4.294 -5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.851 6.766 -6.489 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.422 6.976 -8.148 1.00 0.00 H new ATOM 915 N PRO A 64 -3.733 1.149 -5.037 1.00 0.00 N ATOM 916 CA PRO A 64 -2.451 0.445 -5.124 1.00 0.00 C ATOM 917 C PRO A 64 -1.426 1.208 -5.956 1.00 0.00 C ATOM 918 O PRO A 64 -1.773 1.860 -6.941 1.00 0.00 O ATOM 919 CB PRO A 64 -2.817 -0.876 -5.806 1.00 0.00 C ATOM 920 CG PRO A 64 -4.049 -0.571 -6.585 1.00 0.00 C ATOM 921 CD PRO A 64 -4.797 0.463 -5.790 1.00 0.00 C ATOM 0 HA PRO A 64 -1.987 0.321 -4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.013 -1.222 -6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.996 -1.663 -5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.800 -0.195 -7.577 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.653 -1.467 -6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.340 1.152 -6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.530 0.006 -5.125 1.00 0.00 H new ATOM 929 N ALA A 65 -0.162 1.121 -5.555 1.00 0.00 N ATOM 930 CA ALA A 65 0.914 1.802 -6.266 1.00 0.00 C ATOM 931 C ALA A 65 2.216 1.014 -6.174 1.00 0.00 C ATOM 932 O ALA A 65 2.276 -0.031 -5.528 1.00 0.00 O ATOM 933 CB ALA A 65 1.105 3.207 -5.714 1.00 0.00 C ATOM 0 H ALA A 65 0.142 0.586 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 65 0.635 1.872 -7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.911 3.704 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.183 3.775 -5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.358 3.151 -4.655 1.00 0.00 H new ATOM 939 N ALA A 66 3.257 1.522 -6.827 1.00 0.00 N ATOM 940 CA ALA A 66 4.558 0.866 -6.818 1.00 0.00 C ATOM 941 C ALA A 66 5.346 1.227 -5.562 1.00 0.00 C ATOM 942 O ALA A 66 5.333 2.375 -5.119 1.00 0.00 O ATOM 943 CB ALA A 66 5.347 1.241 -8.064 1.00 0.00 C ATOM 0 H ALA A 66 3.224 2.386 -7.369 1.00 0.00 H new ATOM 0 HA ALA A 66 4.394 -0.212 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.317 0.744 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.797 0.927 -8.951 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.493 2.321 -8.091 1.00 0.00 H new ATOM 949 N ALA A 67 6.030 0.239 -4.994 1.00 0.00 N ATOM 950 CA ALA A 67 6.824 0.453 -3.791 1.00 0.00 C ATOM 951 C ALA A 67 8.146 1.137 -4.120 1.00 0.00 C ATOM 952 O ALA A 67 8.737 0.921 -5.179 1.00 0.00 O ATOM 953 CB ALA A 67 7.074 -0.870 -3.082 1.00 0.00 C ATOM 0 H ALA A 67 6.050 -0.717 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 67 6.262 1.109 -3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.668 -0.696 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.121 -1.320 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.612 -1.544 -3.748 1.00 0.00 H new