USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 491 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 Single : A 9 CYS SG : rot 43:sc= -0.032 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -105:sc= -0.371 (180deg=-4.21!) USER MOD Single : A 18 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.4) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.29) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 74:sc= 1.35 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0517 X(o=-0.052,f=-0.05) USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00169) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.361 K(o=-0.36,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 6.268 -4.233 -10.135 1.00 0.00 N ATOM 42 CA LEU A 4 7.216 -5.335 -10.260 1.00 0.00 C ATOM 43 C LEU A 4 8.548 -4.847 -10.820 1.00 0.00 C ATOM 44 O LEU A 4 8.610 -4.322 -11.932 1.00 0.00 O ATOM 45 CB LEU A 4 6.641 -6.429 -11.162 1.00 0.00 C ATOM 46 CG LEU A 4 5.894 -7.559 -10.453 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.057 -8.351 -11.445 1.00 0.00 C ATOM 48 CD2 LEU A 4 6.873 -8.473 -9.730 1.00 0.00 C ATOM 0 HA LEU A 4 7.390 -5.746 -9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.962 -5.963 -11.876 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.458 -6.865 -11.737 1.00 0.00 H new ATOM 0 HG LEU A 4 5.224 -7.119 -9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.533 -9.151 -10.922 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.331 -7.690 -11.918 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.707 -8.781 -12.207 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.324 -9.272 -9.231 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.567 -8.905 -10.451 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.429 -7.898 -8.990 1.00 0.00 H new ATOM 60 N ARG A 5 9.612 -5.025 -10.044 1.00 0.00 N ATOM 61 CA ARG A 5 10.943 -4.603 -10.463 1.00 0.00 C ATOM 62 C ARG A 5 12.020 -5.419 -9.754 1.00 0.00 C ATOM 63 O ARG A 5 11.755 -6.075 -8.747 1.00 0.00 O ATOM 64 CB ARG A 5 11.144 -3.114 -10.174 1.00 0.00 C ATOM 65 CG ARG A 5 11.090 -2.768 -8.695 1.00 0.00 C ATOM 66 CD ARG A 5 12.080 -1.668 -8.344 1.00 0.00 C ATOM 67 NE ARG A 5 11.600 -0.350 -8.751 1.00 0.00 N ATOM 68 CZ ARG A 5 12.306 0.766 -8.606 1.00 0.00 C ATOM 69 NH1 ARG A 5 13.517 0.723 -8.068 1.00 0.00 N ATOM 70 NH2 ARG A 5 11.801 1.928 -9.001 1.00 0.00 N ATOM 0 H ARG A 5 9.578 -5.459 -9.121 1.00 0.00 H new ATOM 0 HA ARG A 5 11.030 -4.773 -11.536 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.107 -2.801 -10.577 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.378 -2.544 -10.700 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.082 -2.449 -8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.308 -3.657 -8.104 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.260 -1.672 -7.269 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.035 -1.872 -8.828 1.00 0.00 H new ATOM 0 HE ARG A 5 10.672 -0.283 -9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.909 -0.168 -7.764 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.057 1.581 -7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.870 1.965 -9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.344 2.784 -8.889 1.00 0.00 H new ATOM 84 N VAL A 6 13.236 -5.374 -10.289 1.00 0.00 N ATOM 85 CA VAL A 6 14.354 -6.109 -9.708 1.00 0.00 C ATOM 86 C VAL A 6 14.900 -5.395 -8.476 1.00 0.00 C ATOM 87 O VAL A 6 15.278 -4.226 -8.540 1.00 0.00 O ATOM 88 CB VAL A 6 15.494 -6.295 -10.727 1.00 0.00 C ATOM 89 CG1 VAL A 6 15.944 -4.950 -11.276 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.659 -7.038 -10.092 1.00 0.00 C ATOM 0 H VAL A 6 13.472 -4.837 -11.123 1.00 0.00 H new ATOM 0 HA VAL A 6 13.973 -7.088 -9.418 1.00 0.00 H new ATOM 0 HB VAL A 6 15.121 -6.893 -11.559 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.750 -5.101 -11.994 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.105 -4.460 -11.770 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.300 -4.324 -10.458 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.456 -7.161 -10.826 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.034 -6.468 -9.242 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.324 -8.018 -9.753 1.00 0.00 H new ATOM 100 N GLY A 7 14.939 -6.108 -7.354 1.00 0.00 N ATOM 101 CA GLY A 7 15.440 -5.526 -6.123 1.00 0.00 C ATOM 102 C GLY A 7 14.632 -5.946 -4.912 1.00 0.00 C ATOM 103 O GLY A 7 15.036 -5.707 -3.773 1.00 0.00 O ATOM 0 H GLY A 7 14.633 -7.078 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.480 -5.821 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.426 -4.439 -6.206 1.00 0.00 H new ATOM 107 N LEU A 8 13.486 -6.573 -5.155 1.00 0.00 N ATOM 108 CA LEU A 8 12.617 -7.026 -4.075 1.00 0.00 C ATOM 109 C LEU A 8 13.360 -7.975 -3.140 1.00 0.00 C ATOM 110 O LEU A 8 13.214 -7.901 -1.920 1.00 0.00 O ATOM 111 CB LEU A 8 11.379 -7.720 -4.647 1.00 0.00 C ATOM 112 CG LEU A 8 10.701 -7.020 -5.825 1.00 0.00 C ATOM 113 CD1 LEU A 8 9.448 -7.773 -6.244 1.00 0.00 C ATOM 114 CD2 LEU A 8 10.366 -5.579 -5.468 1.00 0.00 C ATOM 0 H LEU A 8 13.137 -6.779 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 8 12.304 -6.153 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.663 -8.724 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.647 -7.832 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 8 11.394 -7.013 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.979 -7.260 -7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.715 -8.787 -6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.750 -7.813 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.884 -5.096 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.692 -5.564 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.282 -5.044 -5.218 1.00 0.00 H new ATOM 126 N CYS A 9 14.158 -8.865 -3.721 1.00 0.00 N ATOM 127 CA CYS A 9 14.926 -9.828 -2.940 1.00 0.00 C ATOM 128 C CYS A 9 16.063 -10.417 -3.768 1.00 0.00 C ATOM 129 O CYS A 9 16.057 -10.368 -4.998 1.00 0.00 O ATOM 130 CB CYS A 9 14.015 -10.947 -2.434 1.00 0.00 C ATOM 131 SG CYS A 9 13.508 -10.763 -0.708 1.00 0.00 S ATOM 0 H CYS A 9 14.290 -8.939 -4.730 1.00 0.00 H new ATOM 0 HA CYS A 9 15.356 -9.305 -2.086 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.124 -10.987 -3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.530 -11.901 -2.551 1.00 0.00 H new ATOM 0 HG CYS A 9 13.200 -9.521 -0.476 1.00 0.00 H new ATOM 137 N PRO A 10 17.064 -10.985 -3.080 1.00 0.00 N ATOM 138 CA PRO A 10 18.227 -11.594 -3.732 1.00 0.00 C ATOM 139 C PRO A 10 17.872 -12.880 -4.469 1.00 0.00 C ATOM 140 O PRO A 10 17.793 -13.950 -3.867 1.00 0.00 O ATOM 141 CB PRO A 10 19.173 -11.889 -2.565 1.00 0.00 C ATOM 142 CG PRO A 10 18.282 -12.025 -1.380 1.00 0.00 C ATOM 143 CD PRO A 10 17.136 -11.079 -1.612 1.00 0.00 C ATOM 0 HA PRO A 10 18.656 -10.941 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 10 19.743 -12.802 -2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.895 -11.084 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.927 -13.050 -1.275 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.814 -11.776 -0.462 1.00 0.00 H new ATOM 0 HD2 PRO A 10 16.207 -11.461 -1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.319 -10.106 -1.155 1.00 0.00 H new ATOM 151 N GLY A 11 17.659 -12.768 -5.777 1.00 0.00 N ATOM 152 CA GLY A 11 17.315 -13.931 -6.575 1.00 0.00 C ATOM 153 C GLY A 11 16.643 -13.559 -7.881 1.00 0.00 C ATOM 154 O GLY A 11 17.038 -14.032 -8.948 1.00 0.00 O ATOM 0 H GLY A 11 17.718 -11.893 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.218 -14.504 -6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.653 -14.579 -6.001 1.00 0.00 H new ATOM 158 N LEU A 12 15.624 -12.711 -7.800 1.00 0.00 N ATOM 159 CA LEU A 12 14.893 -12.277 -8.986 1.00 0.00 C ATOM 160 C LEU A 12 15.729 -11.308 -9.816 1.00 0.00 C ATOM 161 O LEU A 12 16.309 -10.360 -9.286 1.00 0.00 O ATOM 162 CB LEU A 12 13.574 -11.615 -8.583 1.00 0.00 C ATOM 163 CG LEU A 12 12.442 -12.563 -8.186 1.00 0.00 C ATOM 164 CD1 LEU A 12 11.354 -11.810 -7.437 1.00 0.00 C ATOM 165 CD2 LEU A 12 11.867 -13.252 -9.415 1.00 0.00 C ATOM 0 H LEU A 12 15.285 -12.310 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 12 14.680 -13.157 -9.593 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.768 -10.943 -7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.231 -10.999 -9.414 1.00 0.00 H new ATOM 0 HG LEU A 12 12.849 -13.327 -7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.557 -12.501 -7.162 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.775 -11.364 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.950 -11.024 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.063 -13.923 -9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.476 -12.502 -10.103 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.650 -13.825 -9.911 1.00 0.00 H new ATOM 177 N THR A 13 15.785 -11.550 -11.122 1.00 0.00 N ATOM 178 CA THR A 13 16.548 -10.699 -12.025 1.00 0.00 C ATOM 179 C THR A 13 15.625 -9.879 -12.920 1.00 0.00 C ATOM 180 O THR A 13 14.423 -10.133 -12.984 1.00 0.00 O ATOM 181 CB THR A 13 17.499 -11.527 -12.909 1.00 0.00 C ATOM 182 OG1 THR A 13 16.781 -12.600 -13.529 1.00 0.00 O ATOM 183 CG2 THR A 13 18.650 -12.089 -12.089 1.00 0.00 C ATOM 0 H THR A 13 15.310 -12.329 -11.578 1.00 0.00 H new ATOM 0 HA THR A 13 17.137 -10.026 -11.402 1.00 0.00 H new ATOM 0 HB THR A 13 17.908 -10.871 -13.677 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.392 -13.121 -14.091 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.308 -12.670 -12.736 1.00 0.00 H new ATOM 0 HG22 THR A 13 19.212 -11.269 -11.642 1.00 0.00 H new ATOM 0 HG23 THR A 13 18.256 -12.731 -11.301 1.00 0.00 H new ATOM 191 N GLU A 14 16.196 -8.897 -13.610 1.00 0.00 N ATOM 192 CA GLU A 14 15.422 -8.040 -14.501 1.00 0.00 C ATOM 193 C GLU A 14 14.732 -8.865 -15.584 1.00 0.00 C ATOM 194 O GLU A 14 13.684 -8.478 -16.099 1.00 0.00 O ATOM 195 CB GLU A 14 16.326 -6.987 -15.145 1.00 0.00 C ATOM 196 CG GLU A 14 17.329 -7.566 -16.129 1.00 0.00 C ATOM 197 CD GLU A 14 18.459 -6.604 -16.443 1.00 0.00 C ATOM 198 OE1 GLU A 14 18.242 -5.379 -16.339 1.00 0.00 O ATOM 199 OE2 GLU A 14 19.560 -7.078 -16.794 1.00 0.00 O ATOM 0 H GLU A 14 17.191 -8.675 -13.569 1.00 0.00 H new ATOM 0 HA GLU A 14 14.658 -7.538 -13.908 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.706 -6.254 -15.660 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.865 -6.454 -14.361 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.744 -8.487 -15.720 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.815 -7.831 -17.053 1.00 0.00 H new ATOM 206 N GLU A 15 15.329 -10.003 -15.924 1.00 0.00 N ATOM 207 CA GLU A 15 14.773 -10.881 -16.947 1.00 0.00 C ATOM 208 C GLU A 15 13.352 -11.304 -16.586 1.00 0.00 C ATOM 209 O GLU A 15 12.483 -11.399 -17.452 1.00 0.00 O ATOM 210 CB GLU A 15 15.656 -12.118 -17.123 1.00 0.00 C ATOM 211 CG GLU A 15 16.782 -11.924 -18.125 1.00 0.00 C ATOM 212 CD GLU A 15 16.279 -11.796 -19.550 1.00 0.00 C ATOM 213 OE1 GLU A 15 15.229 -12.395 -19.864 1.00 0.00 O ATOM 214 OE2 GLU A 15 16.935 -11.097 -20.350 1.00 0.00 O ATOM 0 H GLU A 15 16.197 -10.338 -15.506 1.00 0.00 H new ATOM 0 HA GLU A 15 14.742 -10.329 -17.886 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.083 -12.390 -16.158 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.035 -12.955 -17.444 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.348 -11.030 -17.862 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.470 -12.767 -18.061 1.00 0.00 H new ATOM 221 N MET A 16 13.124 -11.556 -15.301 1.00 0.00 N ATOM 222 CA MET A 16 11.808 -11.969 -14.826 1.00 0.00 C ATOM 223 C MET A 16 10.781 -10.862 -15.041 1.00 0.00 C ATOM 224 O MET A 16 9.699 -11.103 -15.578 1.00 0.00 O ATOM 225 CB MET A 16 11.872 -12.340 -13.343 1.00 0.00 C ATOM 226 CG MET A 16 11.291 -13.710 -13.034 1.00 0.00 C ATOM 227 SD MET A 16 9.556 -13.635 -12.549 1.00 0.00 S ATOM 228 CE MET A 16 9.500 -14.909 -11.292 1.00 0.00 C ATOM 0 H MET A 16 13.832 -11.482 -14.571 1.00 0.00 H new ATOM 0 HA MET A 16 11.499 -12.843 -15.399 1.00 0.00 H new ATOM 0 HB2 MET A 16 12.911 -12.312 -13.014 1.00 0.00 H new ATOM 0 HB3 MET A 16 11.335 -11.588 -12.765 1.00 0.00 H new ATOM 0 HG2 MET A 16 11.392 -14.349 -13.911 1.00 0.00 H new ATOM 0 HG3 MET A 16 11.868 -14.173 -12.234 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.007 -15.794 -11.693 1.00 0.00 H new ATOM 0 HE2 MET A 16 10.515 -15.165 -10.988 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.944 -14.544 -10.428 1.00 0.00 H new ATOM 238 N ILE A 17 11.126 -9.650 -14.620 1.00 0.00 N ATOM 239 CA ILE A 17 10.233 -8.508 -14.768 1.00 0.00 C ATOM 240 C ILE A 17 9.935 -8.230 -16.238 1.00 0.00 C ATOM 241 O ILE A 17 8.811 -7.884 -16.598 1.00 0.00 O ATOM 242 CB ILE A 17 10.830 -7.240 -14.129 1.00 0.00 C ATOM 243 CG1 ILE A 17 11.111 -7.476 -12.644 1.00 0.00 C ATOM 244 CG2 ILE A 17 9.888 -6.060 -14.314 1.00 0.00 C ATOM 245 CD1 ILE A 17 12.585 -7.562 -12.314 1.00 0.00 C ATOM 0 H ILE A 17 12.017 -9.434 -14.174 1.00 0.00 H new ATOM 0 HA ILE A 17 9.307 -8.763 -14.253 1.00 0.00 H new ATOM 0 HB ILE A 17 11.772 -7.009 -14.626 1.00 0.00 H new ATOM 0 HG12 ILE A 17 10.664 -6.668 -12.065 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.623 -8.399 -12.332 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.324 -5.171 -13.857 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.733 -5.882 -15.378 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.932 -6.280 -13.840 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.709 -7.730 -11.244 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.034 -8.388 -12.866 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.076 -6.630 -12.594 1.00 0.00 H new ATOM 257 N GLN A 18 10.951 -8.386 -17.081 1.00 0.00 N ATOM 258 CA GLN A 18 10.797 -8.153 -18.513 1.00 0.00 C ATOM 259 C GLN A 18 9.772 -9.110 -19.113 1.00 0.00 C ATOM 260 O GLN A 18 8.957 -8.719 -19.950 1.00 0.00 O ATOM 261 CB GLN A 18 12.141 -8.314 -19.225 1.00 0.00 C ATOM 262 CG GLN A 18 13.050 -7.103 -19.090 1.00 0.00 C ATOM 263 CD GLN A 18 12.397 -5.826 -19.581 1.00 0.00 C ATOM 264 OE1 GLN A 18 11.866 -5.773 -20.690 1.00 0.00 O ATOM 265 NE2 GLN A 18 12.433 -4.787 -18.754 1.00 0.00 N ATOM 0 H GLN A 18 11.888 -8.672 -16.798 1.00 0.00 H new ATOM 0 HA GLN A 18 10.440 -7.133 -18.653 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.653 -9.189 -18.824 1.00 0.00 H new ATOM 0 HB3 GLN A 18 11.962 -8.507 -20.283 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.335 -6.982 -18.045 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.967 -7.277 -19.653 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.884 -4.875 -17.843 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.010 -3.901 -19.030 1.00 0.00 H new ATOM 274 N LEU A 19 9.818 -10.365 -18.681 1.00 0.00 N ATOM 275 CA LEU A 19 8.894 -11.379 -19.175 1.00 0.00 C ATOM 276 C LEU A 19 7.476 -11.112 -18.679 1.00 0.00 C ATOM 277 O LEU A 19 6.502 -11.353 -19.393 1.00 0.00 O ATOM 278 CB LEU A 19 9.348 -12.771 -18.732 1.00 0.00 C ATOM 279 CG LEU A 19 10.326 -13.486 -19.665 1.00 0.00 C ATOM 280 CD1 LEU A 19 11.609 -13.834 -18.926 1.00 0.00 C ATOM 281 CD2 LEU A 19 9.688 -14.738 -20.249 1.00 0.00 C ATOM 0 H LEU A 19 10.486 -10.705 -17.989 1.00 0.00 H new ATOM 0 HA LEU A 19 8.893 -11.334 -20.264 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.812 -12.684 -17.749 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.465 -13.399 -18.614 1.00 0.00 H new ATOM 0 HG LEU A 19 10.574 -12.813 -20.486 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.294 -14.342 -19.605 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.075 -12.921 -18.557 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.379 -14.489 -18.086 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.399 -15.234 -20.910 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.410 -15.415 -19.441 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.797 -14.463 -20.814 1.00 0.00 H new ATOM 293 N LEU A 20 7.369 -10.612 -17.454 1.00 0.00 N ATOM 294 CA LEU A 20 6.070 -10.309 -16.862 1.00 0.00 C ATOM 295 C LEU A 20 5.323 -9.270 -17.692 1.00 0.00 C ATOM 296 O LEU A 20 4.123 -9.402 -17.936 1.00 0.00 O ATOM 297 CB LEU A 20 6.245 -9.804 -15.429 1.00 0.00 C ATOM 298 CG LEU A 20 6.712 -10.839 -14.405 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.369 -10.156 -13.216 1.00 0.00 C ATOM 300 CD2 LEU A 20 5.543 -11.701 -13.948 1.00 0.00 C ATOM 0 H LEU A 20 8.165 -10.407 -16.851 1.00 0.00 H new ATOM 0 HA LEU A 20 5.482 -11.227 -16.847 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.962 -8.983 -15.439 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.294 -9.392 -15.092 1.00 0.00 H new ATOM 0 HG LEU A 20 7.451 -11.484 -14.880 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.695 -10.909 -12.498 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.231 -9.582 -13.557 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.653 -9.486 -12.740 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.893 -12.432 -13.219 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.782 -11.069 -13.491 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.116 -12.220 -14.806 1.00 0.00 H new ATOM 312 N ARG A 21 6.040 -8.237 -18.123 1.00 0.00 N ATOM 313 CA ARG A 21 5.445 -7.176 -18.927 1.00 0.00 C ATOM 314 C ARG A 21 4.991 -7.710 -20.282 1.00 0.00 C ATOM 315 O ARG A 21 4.052 -7.189 -20.883 1.00 0.00 O ATOM 316 CB ARG A 21 6.445 -6.036 -19.125 1.00 0.00 C ATOM 317 CG ARG A 21 5.794 -4.708 -19.475 1.00 0.00 C ATOM 318 CD ARG A 21 6.712 -3.537 -19.162 1.00 0.00 C ATOM 319 NE ARG A 21 6.022 -2.255 -19.273 1.00 0.00 N ATOM 320 CZ ARG A 21 5.093 -1.844 -18.417 1.00 0.00 C ATOM 321 NH1 ARG A 21 4.746 -2.610 -17.392 1.00 0.00 N ATOM 322 NH2 ARG A 21 4.510 -0.664 -18.584 1.00 0.00 N ATOM 0 H ARG A 21 7.034 -8.112 -17.929 1.00 0.00 H new ATOM 0 HA ARG A 21 4.573 -6.797 -18.395 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.030 -5.915 -18.213 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.142 -6.309 -19.917 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.536 -4.696 -20.534 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.863 -4.600 -18.919 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.110 -3.648 -18.153 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.562 -3.551 -19.844 1.00 0.00 H new ATOM 0 HE ARG A 21 6.267 -1.641 -20.050 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.193 -3.517 -17.259 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.032 -2.292 -16.736 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.775 -0.071 -19.371 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.797 -0.350 -17.926 1.00 0.00 H new ATOM 336 N SER A 22 5.666 -8.752 -20.758 1.00 0.00 N ATOM 337 CA SER A 22 5.335 -9.353 -22.045 1.00 0.00 C ATOM 338 C SER A 22 3.857 -9.727 -22.105 1.00 0.00 C ATOM 339 O SER A 22 3.198 -9.538 -23.129 1.00 0.00 O ATOM 340 CB SER A 22 6.196 -10.594 -22.288 1.00 0.00 C ATOM 341 OG SER A 22 6.139 -10.996 -23.646 1.00 0.00 O ATOM 0 H SER A 22 6.445 -9.197 -20.272 1.00 0.00 H new ATOM 0 HA SER A 22 5.539 -8.619 -22.825 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.229 -10.384 -22.011 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.854 -11.409 -21.650 1.00 0.00 H new ATOM 0 HG SER A 22 6.699 -11.790 -23.776 1.00 0.00 H new ATOM 347 N HIS A 23 3.341 -10.259 -21.001 1.00 0.00 N ATOM 348 CA HIS A 23 1.941 -10.659 -20.927 1.00 0.00 C ATOM 349 C HIS A 23 1.090 -9.550 -20.315 1.00 0.00 C ATOM 350 O HIS A 23 -0.006 -9.801 -19.815 1.00 0.00 O ATOM 351 CB HIS A 23 1.797 -11.941 -20.106 1.00 0.00 C ATOM 352 CG HIS A 23 0.915 -12.967 -20.747 1.00 0.00 C ATOM 353 ND1 HIS A 23 0.989 -13.293 -22.085 1.00 0.00 N ATOM 354 CD2 HIS A 23 -0.063 -13.744 -20.225 1.00 0.00 C ATOM 355 CE1 HIS A 23 0.093 -14.224 -22.359 1.00 0.00 C ATOM 356 NE2 HIS A 23 -0.558 -14.516 -21.247 1.00 0.00 N ATOM 0 H HIS A 23 3.872 -10.423 -20.146 1.00 0.00 H new ATOM 0 HA HIS A 23 1.588 -10.845 -21.941 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.785 -12.373 -19.945 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.395 -11.691 -19.124 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.392 -13.755 -19.197 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -0.078 -14.671 -23.327 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -1.307 -15.203 -21.162 1.00 0.00 H new ATOM 364 N ARG A 24 1.604 -8.325 -20.357 1.00 0.00 N ATOM 365 CA ARG A 24 0.893 -7.179 -19.804 1.00 0.00 C ATOM 366 C ARG A 24 0.529 -7.418 -18.342 1.00 0.00 C ATOM 367 O ARG A 24 -0.439 -6.854 -17.832 1.00 0.00 O ATOM 368 CB ARG A 24 -0.373 -6.897 -20.616 1.00 0.00 C ATOM 369 CG ARG A 24 -0.143 -6.887 -22.118 1.00 0.00 C ATOM 370 CD ARG A 24 -0.774 -8.098 -22.787 1.00 0.00 C ATOM 371 NE ARG A 24 -2.218 -7.949 -22.941 1.00 0.00 N ATOM 372 CZ ARG A 24 -2.988 -8.837 -23.560 1.00 0.00 C ATOM 373 NH1 ARG A 24 -2.453 -9.933 -24.081 1.00 0.00 N ATOM 374 NH2 ARG A 24 -4.295 -8.630 -23.659 1.00 0.00 N ATOM 0 H ARG A 24 2.510 -8.101 -20.768 1.00 0.00 H new ATOM 0 HA ARG A 24 1.553 -6.313 -19.859 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.123 -7.651 -20.377 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.782 -5.933 -20.313 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.561 -5.975 -22.545 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.927 -6.873 -22.323 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.319 -8.249 -23.766 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.563 -8.989 -22.196 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.660 -7.117 -22.552 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.449 -10.095 -24.007 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.046 -10.614 -24.556 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.710 -7.788 -23.260 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.885 -9.313 -24.135 1.00 0.00 H new ATOM 388 N ILE A 25 1.312 -8.259 -17.673 1.00 0.00 N ATOM 389 CA ILE A 25 1.072 -8.572 -16.270 1.00 0.00 C ATOM 390 C ILE A 25 1.222 -7.331 -15.396 1.00 0.00 C ATOM 391 O ILE A 25 2.000 -6.429 -15.707 1.00 0.00 O ATOM 392 CB ILE A 25 2.036 -9.661 -15.764 1.00 0.00 C ATOM 393 CG1 ILE A 25 1.909 -10.923 -16.620 1.00 0.00 C ATOM 394 CG2 ILE A 25 1.758 -9.977 -14.302 1.00 0.00 C ATOM 395 CD1 ILE A 25 2.727 -12.087 -16.106 1.00 0.00 C ATOM 0 H ILE A 25 2.117 -8.735 -18.080 1.00 0.00 H new ATOM 0 HA ILE A 25 0.049 -8.942 -16.200 1.00 0.00 H new ATOM 0 HB ILE A 25 3.057 -9.289 -15.848 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.861 -11.218 -16.665 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.219 -10.693 -17.639 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.447 -10.748 -13.959 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.894 -9.077 -13.703 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.733 -10.333 -14.195 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.588 -12.947 -16.762 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.781 -11.811 -16.088 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.401 -12.343 -15.098 1.00 0.00 H new ATOM 407 N LYS A 26 0.472 -7.292 -14.300 1.00 0.00 N ATOM 408 CA LYS A 26 0.522 -6.164 -13.377 1.00 0.00 C ATOM 409 C LYS A 26 1.624 -6.357 -12.340 1.00 0.00 C ATOM 410 O LYS A 26 2.424 -7.288 -12.436 1.00 0.00 O ATOM 411 CB LYS A 26 -0.828 -5.991 -12.677 1.00 0.00 C ATOM 412 CG LYS A 26 -1.468 -4.635 -12.918 1.00 0.00 C ATOM 413 CD LYS A 26 -2.245 -4.161 -11.701 1.00 0.00 C ATOM 414 CE LYS A 26 -1.904 -2.722 -11.347 1.00 0.00 C ATOM 415 NZ LYS A 26 -2.407 -1.764 -12.371 1.00 0.00 N ATOM 0 H LYS A 26 -0.178 -8.029 -14.029 1.00 0.00 H new ATOM 0 HA LYS A 26 0.743 -5.265 -13.953 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.508 -6.771 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.693 -6.134 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.696 -3.906 -13.165 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.136 -4.695 -13.777 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.314 -4.245 -11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.023 -4.808 -10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.334 -2.475 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.823 -2.618 -11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.154 -0.794 -12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.977 -1.983 -13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.441 -1.845 -12.444 1.00 0.00 H new ATOM 429 N THR A 27 1.658 -5.473 -11.348 1.00 0.00 N ATOM 430 CA THR A 27 2.661 -5.547 -10.293 1.00 0.00 C ATOM 431 C THR A 27 2.399 -6.730 -9.368 1.00 0.00 C ATOM 432 O THR A 27 1.471 -7.509 -9.587 1.00 0.00 O ATOM 433 CB THR A 27 2.694 -4.254 -9.457 1.00 0.00 C ATOM 434 OG1 THR A 27 3.818 -4.271 -8.571 1.00 0.00 O ATOM 435 CG2 THR A 27 1.411 -4.095 -8.655 1.00 0.00 C ATOM 0 H THR A 27 1.002 -4.697 -11.253 1.00 0.00 H new ATOM 0 HA THR A 27 3.626 -5.678 -10.783 1.00 0.00 H new ATOM 0 HB THR A 27 2.784 -3.409 -10.140 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.640 -4.116 -9.082 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.458 -3.175 -8.073 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.560 -4.051 -9.335 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.295 -4.945 -7.982 1.00 0.00 H new ATOM 443 N VAL A 28 3.222 -6.859 -8.332 1.00 0.00 N ATOM 444 CA VAL A 28 3.078 -7.946 -7.371 1.00 0.00 C ATOM 445 C VAL A 28 1.628 -8.101 -6.930 1.00 0.00 C ATOM 446 O VAL A 28 1.189 -9.194 -6.571 1.00 0.00 O ATOM 447 CB VAL A 28 3.960 -7.719 -6.129 1.00 0.00 C ATOM 448 CG1 VAL A 28 3.857 -8.900 -5.177 1.00 0.00 C ATOM 449 CG2 VAL A 28 5.405 -7.478 -6.540 1.00 0.00 C ATOM 0 H VAL A 28 3.996 -6.224 -8.137 1.00 0.00 H new ATOM 0 HA VAL A 28 3.401 -8.857 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 28 3.602 -6.832 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.487 -8.721 -4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.822 -9.021 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.188 -9.806 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.015 -7.319 -5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.778 -8.345 -7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.459 -6.597 -7.179 1.00 0.00 H new ATOM 459 N VAL A 29 0.885 -6.998 -6.958 1.00 0.00 N ATOM 460 CA VAL A 29 -0.518 -7.011 -6.562 1.00 0.00 C ATOM 461 C VAL A 29 -1.304 -8.046 -7.359 1.00 0.00 C ATOM 462 O VAL A 29 -2.063 -8.833 -6.793 1.00 0.00 O ATOM 463 CB VAL A 29 -1.168 -5.628 -6.755 1.00 0.00 C ATOM 464 CG1 VAL A 29 -2.669 -5.706 -6.519 1.00 0.00 C ATOM 465 CG2 VAL A 29 -0.527 -4.604 -5.830 1.00 0.00 C ATOM 0 H VAL A 29 1.232 -6.085 -7.251 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.547 -7.273 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.002 -5.308 -7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.111 -4.720 -6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.113 -6.407 -7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.860 -6.047 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.999 -3.633 -5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.660 -4.916 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.537 -4.529 -6.052 1.00 0.00 H new ATOM 475 N ASP A 30 -1.118 -8.039 -8.674 1.00 0.00 N ATOM 476 CA ASP A 30 -1.809 -8.978 -9.549 1.00 0.00 C ATOM 477 C ASP A 30 -1.284 -10.396 -9.347 1.00 0.00 C ATOM 478 O ASP A 30 -2.021 -11.371 -9.501 1.00 0.00 O ATOM 479 CB ASP A 30 -1.643 -8.563 -11.012 1.00 0.00 C ATOM 480 CG ASP A 30 -2.200 -9.594 -11.973 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.429 -9.811 -11.963 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.406 -10.184 -12.736 1.00 0.00 O ATOM 0 H ASP A 30 -0.494 -7.393 -9.158 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.868 -8.962 -9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.145 -7.610 -11.175 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.585 -8.407 -11.224 1.00 0.00 H new ATOM 487 N LEU A 31 -0.005 -10.504 -9.003 1.00 0.00 N ATOM 488 CA LEU A 31 0.620 -11.804 -8.781 1.00 0.00 C ATOM 489 C LEU A 31 -0.177 -12.626 -7.774 1.00 0.00 C ATOM 490 O LEU A 31 -0.278 -13.847 -7.895 1.00 0.00 O ATOM 491 CB LEU A 31 2.056 -11.623 -8.286 1.00 0.00 C ATOM 492 CG LEU A 31 3.036 -12.740 -8.646 1.00 0.00 C ATOM 493 CD1 LEU A 31 2.612 -14.050 -7.999 1.00 0.00 C ATOM 494 CD2 LEU A 31 3.135 -12.897 -10.156 1.00 0.00 C ATOM 0 H LEU A 31 0.619 -9.708 -8.872 1.00 0.00 H new ATOM 0 HA LEU A 31 0.634 -12.340 -9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.442 -10.686 -8.687 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.035 -11.521 -7.201 1.00 0.00 H new ATOM 0 HG LEU A 31 4.021 -12.471 -8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.321 -14.834 -8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.593 -13.931 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.618 -14.325 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.837 -13.696 -10.393 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.154 -13.144 -10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.485 -11.964 -10.597 1.00 0.00 H new ATOM 506 N VAL A 32 -0.745 -11.949 -6.781 1.00 0.00 N ATOM 507 CA VAL A 32 -1.536 -12.617 -5.755 1.00 0.00 C ATOM 508 C VAL A 32 -2.640 -13.465 -6.377 1.00 0.00 C ATOM 509 O VAL A 32 -3.087 -14.449 -5.789 1.00 0.00 O ATOM 510 CB VAL A 32 -2.169 -11.601 -4.785 1.00 0.00 C ATOM 511 CG1 VAL A 32 -3.394 -10.954 -5.413 1.00 0.00 C ATOM 512 CG2 VAL A 32 -2.527 -12.274 -3.468 1.00 0.00 C ATOM 0 H VAL A 32 -0.672 -10.938 -6.666 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.855 -13.263 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.439 -10.818 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.827 -10.240 -4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.104 -10.436 -6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.130 -11.722 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.973 -11.542 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.239 -13.079 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.626 -12.684 -3.012 1.00 0.00 H new ATOM 522 N SER A 33 -3.076 -13.076 -7.571 1.00 0.00 N ATOM 523 CA SER A 33 -4.131 -13.798 -8.273 1.00 0.00 C ATOM 524 C SER A 33 -3.549 -14.657 -9.391 1.00 0.00 C ATOM 525 O SER A 33 -4.140 -15.660 -9.790 1.00 0.00 O ATOM 526 CB SER A 33 -5.155 -12.817 -8.847 1.00 0.00 C ATOM 527 OG SER A 33 -6.161 -13.499 -9.575 1.00 0.00 O ATOM 0 H SER A 33 -2.715 -12.265 -8.073 1.00 0.00 H new ATOM 0 HA SER A 33 -4.628 -14.452 -7.557 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.611 -12.247 -8.037 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.653 -12.101 -9.498 1.00 0.00 H new ATOM 0 HG SER A 33 -6.804 -12.851 -9.930 1.00 0.00 H new ATOM 533 N ALA A 34 -2.386 -14.255 -9.893 1.00 0.00 N ATOM 534 CA ALA A 34 -1.722 -14.988 -10.965 1.00 0.00 C ATOM 535 C ALA A 34 -1.464 -16.436 -10.561 1.00 0.00 C ATOM 536 O ALA A 34 -1.815 -16.855 -9.458 1.00 0.00 O ATOM 537 CB ALA A 34 -0.418 -14.303 -11.343 1.00 0.00 C ATOM 0 H ALA A 34 -1.884 -13.426 -9.575 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.382 -14.992 -11.833 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.067 -14.861 -12.144 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.625 -13.288 -11.681 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.240 -14.269 -10.475 1.00 0.00 H new ATOM 543 N ASP A 35 -0.850 -17.195 -11.462 1.00 0.00 N ATOM 544 CA ASP A 35 -0.545 -18.597 -11.199 1.00 0.00 C ATOM 545 C ASP A 35 0.950 -18.793 -10.965 1.00 0.00 C ATOM 546 O ASP A 35 1.622 -19.491 -11.726 1.00 0.00 O ATOM 547 CB ASP A 35 -1.009 -19.470 -12.366 1.00 0.00 C ATOM 548 CG ASP A 35 -2.440 -19.177 -12.774 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.353 -19.429 -11.960 1.00 0.00 O ATOM 550 OD2 ASP A 35 -2.646 -18.694 -13.907 1.00 0.00 O ATOM 0 H ASP A 35 -0.554 -16.864 -12.380 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.079 -18.896 -10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.351 -19.310 -13.220 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.921 -20.520 -12.088 1.00 0.00 H new ATOM 555 N LEU A 36 1.465 -18.172 -9.910 1.00 0.00 N ATOM 556 CA LEU A 36 2.881 -18.277 -9.576 1.00 0.00 C ATOM 557 C LEU A 36 3.289 -19.734 -9.383 1.00 0.00 C ATOM 558 O LEU A 36 4.413 -20.120 -9.700 1.00 0.00 O ATOM 559 CB LEU A 36 3.186 -17.478 -8.307 1.00 0.00 C ATOM 560 CG LEU A 36 4.587 -16.872 -8.216 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.642 -17.968 -8.196 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.831 -15.916 -9.375 1.00 0.00 C ATOM 0 H LEU A 36 0.923 -17.590 -9.271 1.00 0.00 H new ATOM 0 HA LEU A 36 3.456 -17.865 -10.405 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.457 -16.672 -8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.037 -18.130 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 36 4.659 -16.309 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.633 -17.518 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.479 -18.614 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.571 -18.558 -9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.833 -15.494 -9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.740 -16.456 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.095 -15.112 -9.345 1.00 0.00 H new ATOM 574 N GLU A 37 2.366 -20.538 -8.864 1.00 0.00 N ATOM 575 CA GLU A 37 2.630 -21.953 -8.632 1.00 0.00 C ATOM 576 C GLU A 37 2.996 -22.659 -9.934 1.00 0.00 C ATOM 577 O GLU A 37 3.940 -23.448 -9.980 1.00 0.00 O ATOM 578 CB GLU A 37 1.409 -22.625 -8.000 1.00 0.00 C ATOM 579 CG GLU A 37 0.128 -22.429 -8.794 1.00 0.00 C ATOM 580 CD GLU A 37 -1.096 -22.947 -8.063 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.507 -22.311 -7.070 1.00 0.00 O ATOM 582 OE2 GLU A 37 -1.642 -23.988 -8.484 1.00 0.00 O ATOM 0 H GLU A 37 1.430 -20.234 -8.597 1.00 0.00 H new ATOM 0 HA GLU A 37 3.474 -22.031 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.604 -23.693 -7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.267 -22.230 -6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.003 -21.368 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.217 -22.940 -9.753 1.00 0.00 H new ATOM 589 N GLU A 38 2.242 -22.370 -10.990 1.00 0.00 N ATOM 590 CA GLU A 38 2.487 -22.978 -12.292 1.00 0.00 C ATOM 591 C GLU A 38 3.711 -22.359 -12.961 1.00 0.00 C ATOM 592 O GLU A 38 4.590 -23.068 -13.452 1.00 0.00 O ATOM 593 CB GLU A 38 1.262 -22.814 -13.195 1.00 0.00 C ATOM 594 CG GLU A 38 1.421 -23.462 -14.560 1.00 0.00 C ATOM 595 CD GLU A 38 0.298 -23.100 -15.512 1.00 0.00 C ATOM 596 OE1 GLU A 38 -0.846 -23.544 -15.277 1.00 0.00 O ATOM 597 OE2 GLU A 38 0.562 -22.372 -16.492 1.00 0.00 O ATOM 0 H GLU A 38 1.457 -21.719 -10.969 1.00 0.00 H new ATOM 0 HA GLU A 38 2.677 -24.040 -12.138 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.394 -23.245 -12.697 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.059 -21.751 -13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.373 -23.157 -14.994 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.457 -24.545 -14.442 1.00 0.00 H new ATOM 604 N VAL A 39 3.762 -21.031 -12.976 1.00 0.00 N ATOM 605 CA VAL A 39 4.877 -20.315 -13.583 1.00 0.00 C ATOM 606 C VAL A 39 6.204 -20.738 -12.963 1.00 0.00 C ATOM 607 O VAL A 39 7.184 -20.974 -13.669 1.00 0.00 O ATOM 608 CB VAL A 39 4.716 -18.791 -13.431 1.00 0.00 C ATOM 609 CG1 VAL A 39 5.891 -18.063 -14.065 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.400 -18.331 -14.042 1.00 0.00 C ATOM 0 H VAL A 39 3.043 -20.429 -12.574 1.00 0.00 H new ATOM 0 HA VAL A 39 4.876 -20.569 -14.643 1.00 0.00 H new ATOM 0 HB VAL A 39 4.701 -18.549 -12.368 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.759 -16.987 -13.947 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.816 -18.371 -13.577 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.942 -18.308 -15.126 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.302 -17.252 -13.926 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.383 -18.585 -15.102 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.571 -18.827 -13.536 1.00 0.00 H new ATOM 620 N ALA A 40 6.228 -20.834 -11.638 1.00 0.00 N ATOM 621 CA ALA A 40 7.434 -21.232 -10.922 1.00 0.00 C ATOM 622 C ALA A 40 7.861 -22.644 -11.308 1.00 0.00 C ATOM 623 O ALA A 40 9.052 -22.941 -11.392 1.00 0.00 O ATOM 624 CB ALA A 40 7.212 -21.138 -9.420 1.00 0.00 C ATOM 0 H ALA A 40 5.426 -20.642 -11.038 1.00 0.00 H new ATOM 0 HA ALA A 40 8.235 -20.549 -11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.121 -21.438 -8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.962 -20.111 -9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.393 -21.797 -9.131 1.00 0.00 H new ATOM 630 N GLN A 41 6.880 -23.511 -11.541 1.00 0.00 N ATOM 631 CA GLN A 41 7.156 -24.892 -11.917 1.00 0.00 C ATOM 632 C GLN A 41 7.790 -24.964 -13.302 1.00 0.00 C ATOM 633 O GLN A 41 8.783 -25.662 -13.506 1.00 0.00 O ATOM 634 CB GLN A 41 5.868 -25.717 -11.889 1.00 0.00 C ATOM 635 CG GLN A 41 5.528 -26.268 -10.514 1.00 0.00 C ATOM 636 CD GLN A 41 6.416 -27.430 -10.115 1.00 0.00 C ATOM 637 OE1 GLN A 41 7.219 -27.322 -9.188 1.00 0.00 O ATOM 638 NE2 GLN A 41 6.277 -28.550 -10.814 1.00 0.00 N ATOM 0 H GLN A 41 5.888 -23.281 -11.476 1.00 0.00 H new ATOM 0 HA GLN A 41 7.860 -25.305 -11.194 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.042 -25.097 -12.237 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.962 -26.546 -12.590 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.623 -25.473 -9.775 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.487 -26.591 -10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.599 -28.596 -11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.848 -29.365 -10.590 1.00 0.00 H new ATOM 647 N LYS A 42 7.209 -24.238 -14.251 1.00 0.00 N ATOM 648 CA LYS A 42 7.717 -24.217 -15.618 1.00 0.00 C ATOM 649 C LYS A 42 9.061 -23.499 -15.688 1.00 0.00 C ATOM 650 O LYS A 42 10.000 -23.981 -16.322 1.00 0.00 O ATOM 651 CB LYS A 42 6.712 -23.533 -16.547 1.00 0.00 C ATOM 652 CG LYS A 42 5.334 -24.172 -16.528 1.00 0.00 C ATOM 653 CD LYS A 42 5.246 -25.338 -17.498 1.00 0.00 C ATOM 654 CE LYS A 42 3.804 -25.763 -17.730 1.00 0.00 C ATOM 655 NZ LYS A 42 3.187 -26.325 -16.497 1.00 0.00 N ATOM 0 H LYS A 42 6.385 -23.656 -14.099 1.00 0.00 H new ATOM 0 HA LYS A 42 7.859 -25.248 -15.942 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.621 -22.485 -16.262 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.099 -23.554 -17.566 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.107 -24.518 -15.520 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.582 -23.426 -16.786 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.701 -25.057 -18.448 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.817 -26.181 -17.108 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.223 -24.906 -18.069 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.768 -26.507 -18.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.210 -26.619 -16.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.737 -27.148 -16.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.183 -25.601 -15.750 1.00 0.00 H new ATOM 669 N CYS A 43 9.145 -22.346 -15.033 1.00 0.00 N ATOM 670 CA CYS A 43 10.375 -21.562 -15.021 1.00 0.00 C ATOM 671 C CYS A 43 11.466 -22.274 -14.228 1.00 0.00 C ATOM 672 O CYS A 43 12.655 -22.078 -14.474 1.00 0.00 O ATOM 673 CB CYS A 43 10.116 -20.178 -14.425 1.00 0.00 C ATOM 674 SG CYS A 43 11.274 -18.906 -14.982 1.00 0.00 S ATOM 0 H CYS A 43 8.377 -21.934 -14.504 1.00 0.00 H new ATOM 0 HA CYS A 43 10.715 -21.449 -16.051 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.103 -19.868 -14.680 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.164 -20.247 -13.338 1.00 0.00 H new ATOM 0 HG CYS A 43 10.972 -17.771 -14.425 1.00 0.00 H new ATOM 680 N GLY A 44 11.052 -23.102 -13.273 1.00 0.00 N ATOM 681 CA GLY A 44 12.007 -23.829 -12.457 1.00 0.00 C ATOM 682 C GLY A 44 12.467 -23.031 -11.253 1.00 0.00 C ATOM 683 O GLY A 44 13.581 -23.219 -10.763 1.00 0.00 O ATOM 0 H GLY A 44 10.073 -23.282 -13.050 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.556 -24.762 -12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.872 -24.095 -13.065 1.00 0.00 H new ATOM 687 N LEU A 45 11.608 -22.138 -10.774 1.00 0.00 N ATOM 688 CA LEU A 45 11.933 -21.306 -9.620 1.00 0.00 C ATOM 689 C LEU A 45 11.368 -21.909 -8.338 1.00 0.00 C ATOM 690 O LEU A 45 10.630 -22.894 -8.376 1.00 0.00 O ATOM 691 CB LEU A 45 11.386 -19.891 -9.816 1.00 0.00 C ATOM 692 CG LEU A 45 12.185 -18.986 -10.753 1.00 0.00 C ATOM 693 CD1 LEU A 45 11.287 -17.920 -11.361 1.00 0.00 C ATOM 694 CD2 LEU A 45 13.349 -18.345 -10.011 1.00 0.00 C ATOM 0 H LEU A 45 10.681 -21.971 -11.166 1.00 0.00 H new ATOM 0 HA LEU A 45 13.018 -21.260 -9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.368 -19.966 -10.197 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.326 -19.408 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 45 12.587 -19.597 -11.561 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.874 -17.285 -12.025 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.488 -18.398 -11.928 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.855 -17.312 -10.566 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.907 -17.704 -10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.968 -17.748 -9.182 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.007 -19.123 -9.625 1.00 0.00 H new ATOM 706 N SER A 46 11.718 -21.311 -7.204 1.00 0.00 N ATOM 707 CA SER A 46 11.248 -21.790 -5.910 1.00 0.00 C ATOM 708 C SER A 46 9.965 -21.074 -5.499 1.00 0.00 C ATOM 709 O SER A 46 9.987 -19.899 -5.132 1.00 0.00 O ATOM 710 CB SER A 46 12.325 -21.583 -4.843 1.00 0.00 C ATOM 711 OG SER A 46 11.867 -21.999 -3.568 1.00 0.00 O ATOM 0 H SER A 46 12.326 -20.493 -7.155 1.00 0.00 H new ATOM 0 HA SER A 46 11.036 -22.855 -6.000 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.220 -22.144 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.607 -20.531 -4.806 1.00 0.00 H new ATOM 0 HG SER A 46 12.574 -21.858 -2.904 1.00 0.00 H new ATOM 717 N TYR A 47 8.848 -21.790 -5.564 1.00 0.00 N ATOM 718 CA TYR A 47 7.555 -21.224 -5.201 1.00 0.00 C ATOM 719 C TYR A 47 7.531 -20.815 -3.732 1.00 0.00 C ATOM 720 O TYR A 47 6.782 -19.922 -3.334 1.00 0.00 O ATOM 721 CB TYR A 47 6.437 -22.230 -5.480 1.00 0.00 C ATOM 722 CG TYR A 47 5.085 -21.791 -4.967 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.498 -20.615 -5.416 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.394 -22.553 -4.032 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.262 -20.209 -4.949 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.158 -22.156 -3.561 1.00 0.00 C ATOM 727 CZ TYR A 47 2.596 -20.983 -4.022 1.00 0.00 C ATOM 728 OH TYR A 47 1.365 -20.584 -3.554 1.00 0.00 O ATOM 0 H TYR A 47 8.812 -22.764 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 47 7.394 -20.334 -5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.371 -22.398 -6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.697 -23.185 -5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.016 -20.007 -6.143 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.831 -23.471 -3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.820 -19.291 -5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.634 -22.760 -2.836 1.00 0.00 H new ATOM 0 HH TYR A 47 1.032 -21.241 -2.908 1.00 0.00 H new ATOM 738 N LYS A 48 8.357 -21.476 -2.928 1.00 0.00 N ATOM 739 CA LYS A 48 8.435 -21.183 -1.501 1.00 0.00 C ATOM 740 C LYS A 48 8.777 -19.715 -1.266 1.00 0.00 C ATOM 741 O LYS A 48 8.266 -19.091 -0.336 1.00 0.00 O ATOM 742 CB LYS A 48 9.484 -22.075 -0.833 1.00 0.00 C ATOM 743 CG LYS A 48 8.948 -23.433 -0.413 1.00 0.00 C ATOM 744 CD LYS A 48 8.071 -23.328 0.824 1.00 0.00 C ATOM 745 CE LYS A 48 8.899 -23.363 2.099 1.00 0.00 C ATOM 746 NZ LYS A 48 8.141 -23.954 3.237 1.00 0.00 N ATOM 0 H LYS A 48 8.982 -22.219 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 48 7.460 -21.387 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.317 -22.219 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.879 -21.563 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.374 -23.868 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.780 -24.108 -0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.497 -22.402 0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.353 -24.148 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.806 -23.942 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.211 -22.351 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.740 -23.960 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.288 -23.387 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.865 -24.929 3.001 1.00 0.00 H new ATOM 760 N ALA A 49 9.642 -19.170 -2.114 1.00 0.00 N ATOM 761 CA ALA A 49 10.049 -17.774 -2.000 1.00 0.00 C ATOM 762 C ALA A 49 8.840 -16.845 -2.041 1.00 0.00 C ATOM 763 O ALA A 49 8.869 -15.747 -1.484 1.00 0.00 O ATOM 764 CB ALA A 49 11.029 -17.418 -3.108 1.00 0.00 C ATOM 0 H ALA A 49 10.075 -19.674 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 49 10.543 -17.642 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.324 -16.373 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.911 -18.053 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.554 -17.572 -4.077 1.00 0.00 H new ATOM 770 N LEU A 50 7.779 -17.292 -2.704 1.00 0.00 N ATOM 771 CA LEU A 50 6.559 -16.500 -2.818 1.00 0.00 C ATOM 772 C LEU A 50 5.797 -16.481 -1.497 1.00 0.00 C ATOM 773 O LEU A 50 5.325 -15.433 -1.055 1.00 0.00 O ATOM 774 CB LEU A 50 5.667 -17.059 -3.927 1.00 0.00 C ATOM 775 CG LEU A 50 4.722 -16.059 -4.596 1.00 0.00 C ATOM 776 CD1 LEU A 50 3.722 -15.514 -3.588 1.00 0.00 C ATOM 777 CD2 LEU A 50 5.510 -14.925 -5.235 1.00 0.00 C ATOM 0 H LEU A 50 7.739 -18.198 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 50 6.841 -15.477 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.306 -17.494 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.070 -17.871 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 50 4.171 -16.578 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.058 -14.804 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.135 -16.335 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.256 -15.011 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.821 -14.224 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.088 -14.407 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.186 -15.331 -5.988 1.00 0.00 H new ATOM 789 N VAL A 51 5.681 -17.647 -0.870 1.00 0.00 N ATOM 790 CA VAL A 51 4.979 -17.764 0.403 1.00 0.00 C ATOM 791 C VAL A 51 5.604 -16.862 1.461 1.00 0.00 C ATOM 792 O VAL A 51 4.901 -16.265 2.275 1.00 0.00 O ATOM 793 CB VAL A 51 4.983 -19.217 0.915 1.00 0.00 C ATOM 794 CG1 VAL A 51 4.191 -19.330 2.208 1.00 0.00 C ATOM 795 CG2 VAL A 51 4.427 -20.157 -0.145 1.00 0.00 C ATOM 0 H VAL A 51 6.064 -18.524 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 51 3.950 -17.452 0.226 1.00 0.00 H new ATOM 0 HB VAL A 51 6.013 -19.508 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.205 -20.363 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.638 -18.687 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.161 -19.020 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.437 -21.179 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.404 -19.869 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.042 -20.097 -1.043 1.00 0.00 H new ATOM 805 N ALA A 52 6.929 -16.768 1.442 1.00 0.00 N ATOM 806 CA ALA A 52 7.650 -15.937 2.399 1.00 0.00 C ATOM 807 C ALA A 52 7.290 -14.465 2.226 1.00 0.00 C ATOM 808 O ALA A 52 7.033 -13.760 3.202 1.00 0.00 O ATOM 809 CB ALA A 52 9.150 -16.137 2.247 1.00 0.00 C ATOM 0 H ALA A 52 7.525 -17.257 0.774 1.00 0.00 H new ATOM 0 HA ALA A 52 7.355 -16.241 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.675 -15.510 2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.398 -17.183 2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.453 -15.861 1.237 1.00 0.00 H new ATOM 815 N LEU A 53 7.276 -14.007 0.979 1.00 0.00 N ATOM 816 CA LEU A 53 6.948 -12.617 0.679 1.00 0.00 C ATOM 817 C LEU A 53 5.481 -12.327 0.976 1.00 0.00 C ATOM 818 O LEU A 53 5.152 -11.323 1.609 1.00 0.00 O ATOM 819 CB LEU A 53 7.255 -12.306 -0.787 1.00 0.00 C ATOM 820 CG LEU A 53 8.697 -11.905 -1.101 1.00 0.00 C ATOM 821 CD1 LEU A 53 8.973 -12.030 -2.591 1.00 0.00 C ATOM 822 CD2 LEU A 53 8.971 -10.486 -0.623 1.00 0.00 C ATOM 0 H LEU A 53 7.488 -14.577 0.160 1.00 0.00 H new ATOM 0 HA LEU A 53 7.561 -11.979 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.005 -13.183 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.596 -11.501 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 53 9.367 -12.582 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.004 -11.741 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.817 -13.062 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.296 -11.377 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.002 -10.217 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.294 -9.796 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.814 -10.428 0.454 1.00 0.00 H new ATOM 834 N ARG A 54 4.603 -13.212 0.517 1.00 0.00 N ATOM 835 CA ARG A 54 3.170 -13.051 0.734 1.00 0.00 C ATOM 836 C ARG A 54 2.849 -12.997 2.225 1.00 0.00 C ATOM 837 O ARG A 54 2.080 -12.148 2.674 1.00 0.00 O ATOM 838 CB ARG A 54 2.401 -14.199 0.077 1.00 0.00 C ATOM 839 CG ARG A 54 1.067 -13.777 -0.515 1.00 0.00 C ATOM 840 CD ARG A 54 0.083 -14.937 -0.555 1.00 0.00 C ATOM 841 NE ARG A 54 -0.240 -15.426 0.783 1.00 0.00 N ATOM 842 CZ ARG A 54 -1.144 -16.370 1.021 1.00 0.00 C ATOM 843 NH1 ARG A 54 -1.811 -16.922 0.018 1.00 0.00 N ATOM 844 NH2 ARG A 54 -1.382 -16.762 2.266 1.00 0.00 N ATOM 0 H ARG A 54 4.859 -14.048 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 54 2.862 -12.109 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.017 -14.634 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.230 -14.981 0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.647 -12.962 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.220 -13.394 -1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.832 -14.620 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.504 -15.750 -1.146 1.00 0.00 H new ATOM 0 HE ARG A 54 0.255 -15.021 1.577 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.631 -16.622 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.504 -17.647 0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.871 -16.339 3.041 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.076 -17.487 2.449 1.00 0.00 H new ATOM 858 N ARG A 55 3.444 -13.910 2.987 1.00 0.00 N ATOM 859 CA ARG A 55 3.221 -13.967 4.426 1.00 0.00 C ATOM 860 C ARG A 55 3.601 -12.646 5.088 1.00 0.00 C ATOM 861 O ARG A 55 2.926 -12.183 6.007 1.00 0.00 O ATOM 862 CB ARG A 55 4.027 -15.110 5.044 1.00 0.00 C ATOM 863 CG ARG A 55 3.754 -15.317 6.525 1.00 0.00 C ATOM 864 CD ARG A 55 4.154 -16.714 6.975 1.00 0.00 C ATOM 865 NE ARG A 55 5.552 -16.776 7.393 1.00 0.00 N ATOM 866 CZ ARG A 55 6.014 -16.204 8.499 1.00 0.00 C ATOM 867 NH1 ARG A 55 5.194 -15.532 9.294 1.00 0.00 N ATOM 868 NH2 ARG A 55 7.300 -16.304 8.811 1.00 0.00 N ATOM 0 H ARG A 55 4.084 -14.620 2.631 1.00 0.00 H new ATOM 0 HA ARG A 55 2.160 -14.147 4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.802 -16.033 4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.090 -14.911 4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.304 -14.575 7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.695 -15.158 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.515 -17.025 7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.988 -17.419 6.160 1.00 0.00 H new ATOM 0 HE ARG A 55 6.209 -17.286 6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.205 -15.453 9.057 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.552 -15.094 10.143 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.934 -16.820 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.654 -15.865 9.661 1.00 0.00 H new ATOM 882 N VAL A 56 4.688 -12.044 4.615 1.00 0.00 N ATOM 883 CA VAL A 56 5.159 -10.776 5.160 1.00 0.00 C ATOM 884 C VAL A 56 4.201 -9.641 4.817 1.00 0.00 C ATOM 885 O VAL A 56 3.946 -8.759 5.639 1.00 0.00 O ATOM 886 CB VAL A 56 6.563 -10.425 4.634 1.00 0.00 C ATOM 887 CG1 VAL A 56 7.024 -9.088 5.193 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.552 -11.528 4.980 1.00 0.00 C ATOM 0 H VAL A 56 5.259 -12.414 3.855 1.00 0.00 H new ATOM 0 HA VAL A 56 5.205 -10.895 6.243 1.00 0.00 H new ATOM 0 HB VAL A 56 6.515 -10.339 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.018 -8.857 4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.327 -8.307 4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.057 -9.141 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.539 -11.264 4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.599 -11.648 6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.227 -12.464 4.525 1.00 0.00 H new ATOM 898 N LEU A 57 3.672 -9.669 3.599 1.00 0.00 N ATOM 899 CA LEU A 57 2.740 -8.642 3.146 1.00 0.00 C ATOM 900 C LEU A 57 1.451 -8.678 3.961 1.00 0.00 C ATOM 901 O LEU A 57 0.966 -7.644 4.422 1.00 0.00 O ATOM 902 CB LEU A 57 2.424 -8.831 1.661 1.00 0.00 C ATOM 903 CG LEU A 57 3.294 -8.041 0.683 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.726 -8.554 0.709 1.00 0.00 C ATOM 905 CD2 LEU A 57 2.722 -8.121 -0.724 1.00 0.00 C ATOM 0 H LEU A 57 3.872 -10.391 2.907 1.00 0.00 H new ATOM 0 HA LEU A 57 3.211 -7.670 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.515 -9.891 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.383 -8.555 1.494 1.00 0.00 H new ATOM 0 HG LEU A 57 3.298 -6.996 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.331 -7.980 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.134 -8.444 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.741 -9.606 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.354 -7.553 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.687 -9.162 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.715 -7.705 -0.731 1.00 0.00 H new ATOM 917 N LEU A 58 0.902 -9.875 4.136 1.00 0.00 N ATOM 918 CA LEU A 58 -0.330 -10.047 4.898 1.00 0.00 C ATOM 919 C LEU A 58 -0.081 -9.845 6.390 1.00 0.00 C ATOM 920 O LEU A 58 -0.944 -9.346 7.111 1.00 0.00 O ATOM 921 CB LEU A 58 -0.916 -11.439 4.651 1.00 0.00 C ATOM 922 CG LEU A 58 0.016 -12.618 4.931 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.052 -13.017 6.397 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.336 -13.799 4.038 1.00 0.00 C ATOM 0 H LEU A 58 1.290 -10.740 3.761 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.043 -9.294 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.807 -11.551 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.239 -11.496 3.612 1.00 0.00 H new ATOM 0 HG LEU A 58 1.037 -12.310 4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.618 -13.858 6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.249 -12.173 7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.072 -13.306 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.337 -14.629 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.364 -14.107 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.234 -13.508 2.993 1.00 0.00 H new ATOM 936 N ALA A 59 1.106 -10.235 6.844 1.00 0.00 N ATOM 937 CA ALA A 59 1.470 -10.093 8.248 1.00 0.00 C ATOM 938 C ALA A 59 1.453 -8.629 8.674 1.00 0.00 C ATOM 939 O ALA A 59 0.859 -8.277 9.693 1.00 0.00 O ATOM 940 CB ALA A 59 2.841 -10.704 8.502 1.00 0.00 C ATOM 0 H ALA A 59 1.831 -10.651 6.260 1.00 0.00 H new ATOM 0 HA ALA A 59 0.731 -10.626 8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.100 -10.591 9.555 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.821 -11.763 8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.585 -10.196 7.888 1.00 0.00 H new ATOM 946 N GLN A 60 2.111 -7.782 7.889 1.00 0.00 N ATOM 947 CA GLN A 60 2.172 -6.356 8.187 1.00 0.00 C ATOM 948 C GLN A 60 0.838 -5.680 7.889 1.00 0.00 C ATOM 949 O GLN A 60 0.426 -4.758 8.594 1.00 0.00 O ATOM 950 CB GLN A 60 3.286 -5.691 7.378 1.00 0.00 C ATOM 951 CG GLN A 60 3.069 -5.759 5.874 1.00 0.00 C ATOM 952 CD GLN A 60 4.330 -5.457 5.089 1.00 0.00 C ATOM 953 OE1 GLN A 60 5.406 -5.284 5.662 1.00 0.00 O ATOM 954 NE2 GLN A 60 4.204 -5.392 3.768 1.00 0.00 N ATOM 0 H GLN A 60 2.609 -8.058 7.043 1.00 0.00 H new ATOM 0 HA GLN A 60 2.387 -6.242 9.249 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.368 -4.646 7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.235 -6.168 7.622 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.709 -6.752 5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.291 -5.051 5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.293 -5.542 3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.018 -5.192 3.187 1.00 0.00 H new ATOM 963 N PHE A 61 0.167 -6.143 6.840 1.00 0.00 N ATOM 964 CA PHE A 61 -1.121 -5.582 6.447 1.00 0.00 C ATOM 965 C PHE A 61 -2.176 -5.839 7.519 1.00 0.00 C ATOM 966 O PHE A 61 -3.145 -5.091 7.643 1.00 0.00 O ATOM 967 CB PHE A 61 -1.576 -6.179 5.114 1.00 0.00 C ATOM 968 CG PHE A 61 -2.758 -5.472 4.513 1.00 0.00 C ATOM 969 CD1 PHE A 61 -2.746 -4.098 4.341 1.00 0.00 C ATOM 970 CD2 PHE A 61 -3.880 -6.183 4.121 1.00 0.00 C ATOM 971 CE1 PHE A 61 -3.832 -3.446 3.789 1.00 0.00 C ATOM 972 CE2 PHE A 61 -4.970 -5.537 3.568 1.00 0.00 C ATOM 973 CZ PHE A 61 -4.945 -4.166 3.401 1.00 0.00 C ATOM 0 H PHE A 61 0.493 -6.905 6.246 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.000 -4.505 6.332 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.746 -6.147 4.408 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.828 -7.229 5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.878 -3.530 4.642 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.904 -7.255 4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.811 -2.374 3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.839 -6.103 3.267 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.794 -3.658 2.968 1.00 0.00 H new