USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 516 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 31 SER OG : rot 15:sc= 1.01 USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 65 LYS NZ :NH3+ 143:sc= -0.158 (180deg=-1.15) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.762 USER MOD Single : A 16 LYS NZ :NH3+ -114:sc= 0.00309 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.614! USER MOD Single : A 27 THR OG1 : rot -120:sc= -1.43 USER MOD Single : A 28 CYS SG : rot 29:sc= 0.539 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 0:sc= -0.41 USER MOD Single : A 36 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.65) USER MOD Single : A 37 SER OG : rot -116:sc= -1.37! USER MOD Single : A 39 THR OG1 : rot -33:sc= 0.24 USER MOD Single : A 45 SER OG : rot 33:sc= 1.19 USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.131) USER MOD Single : A 50 THR OG1 : rot 81:sc= 0.168 USER MOD Single : A 52 TYR OH : rot 89:sc= 1.25 USER MOD Single : A 57 CYS SG : rot 159:sc= -0.371 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0965 USER MOD Single : A 66 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.693 9.748 9.228 1.00 0.00 N ATOM 56 CA TRP A 5 -3.314 9.190 9.113 1.00 0.00 C ATOM 57 C TRP A 5 -2.756 8.883 10.506 1.00 0.00 C ATOM 58 O TRP A 5 -2.547 9.771 11.309 1.00 0.00 O ATOM 59 CB TRP A 5 -2.493 10.287 8.435 1.00 0.00 C ATOM 60 CG TRP A 5 -2.492 10.070 6.955 1.00 0.00 C ATOM 61 CD1 TRP A 5 -3.098 10.874 6.051 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.867 8.996 6.194 1.00 0.00 C ATOM 63 NE1 TRP A 5 -2.886 10.361 4.784 1.00 0.00 N ATOM 64 CE2 TRP A 5 -2.132 9.205 4.820 1.00 0.00 C ATOM 65 CE3 TRP A 5 -1.102 7.873 6.559 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -1.657 8.330 3.842 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.623 6.991 5.578 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.900 7.219 4.222 1.00 0.00 C ATOM 0 HA TRP A 5 -3.290 8.259 8.546 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.912 11.266 8.669 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.471 10.278 8.815 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.656 11.770 6.281 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.243 10.785 3.928 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.882 7.689 7.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.873 8.510 2.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.037 6.131 5.869 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.528 6.536 3.472 1.00 0.00 H new ATOM 79 N LEU A 6 -2.516 7.633 10.797 1.00 0.00 N ATOM 80 CA LEU A 6 -1.974 7.265 12.138 1.00 0.00 C ATOM 81 C LEU A 6 -0.475 6.969 12.039 1.00 0.00 C ATOM 82 O LEU A 6 0.045 6.709 10.976 1.00 0.00 O ATOM 83 CB LEU A 6 -2.744 6.009 12.548 1.00 0.00 C ATOM 84 CG LEU A 6 -4.240 6.321 12.611 1.00 0.00 C ATOM 85 CD1 LEU A 6 -5.032 5.014 12.662 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.537 7.144 13.867 1.00 0.00 C ATOM 0 H LEU A 6 -2.672 6.849 10.163 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.092 8.068 12.865 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.559 5.208 11.833 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.395 5.657 13.519 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.530 6.888 11.726 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.098 5.236 12.707 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.821 4.426 11.769 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.742 4.447 13.547 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.603 7.367 13.912 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.247 6.576 14.751 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.973 8.076 13.833 1.00 0.00 H new ATOM 98 N ASP A 7 0.223 7.013 13.139 1.00 0.00 N ATOM 99 CA ASP A 7 1.688 6.738 13.110 1.00 0.00 C ATOM 100 C ASP A 7 1.951 5.284 12.706 1.00 0.00 C ATOM 101 O ASP A 7 1.039 4.499 12.536 1.00 0.00 O ATOM 102 CB ASP A 7 2.169 6.989 14.541 1.00 0.00 C ATOM 103 CG ASP A 7 2.584 8.454 14.693 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.319 8.931 13.843 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.161 9.072 15.655 1.00 0.00 O ATOM 0 H ASP A 7 -0.158 7.228 14.060 1.00 0.00 H new ATOM 0 HA ASP A 7 2.208 7.367 12.387 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.376 6.750 15.249 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.011 6.336 14.772 1.00 0.00 H new ATOM 110 N CYS A 8 3.197 4.923 12.557 1.00 0.00 N ATOM 111 CA CYS A 8 3.541 3.524 12.170 1.00 0.00 C ATOM 112 C CYS A 8 4.894 3.139 12.783 1.00 0.00 C ATOM 113 O CYS A 8 5.925 3.299 12.160 1.00 0.00 O ATOM 114 CB CYS A 8 3.624 3.541 10.641 1.00 0.00 C ATOM 115 SG CYS A 8 2.614 2.200 9.963 1.00 0.00 S ATOM 0 H CYS A 8 3.997 5.542 12.688 1.00 0.00 H new ATOM 0 HA CYS A 8 2.808 2.799 12.523 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.276 4.501 10.259 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.660 3.427 10.322 1.00 0.00 H new ATOM 0 HG CYS A 8 2.684 2.218 8.665 1.00 0.00 H new ATOM 121 N PRO A 9 4.842 2.646 13.994 1.00 0.00 N ATOM 122 CA PRO A 9 6.078 2.239 14.709 1.00 0.00 C ATOM 123 C PRO A 9 6.662 0.949 14.137 1.00 0.00 C ATOM 124 O PRO A 9 7.720 0.510 14.545 1.00 0.00 O ATOM 125 CB PRO A 9 5.606 1.998 16.137 1.00 0.00 C ATOM 126 CG PRO A 9 4.146 1.696 16.020 1.00 0.00 C ATOM 127 CD PRO A 9 3.638 2.422 14.804 1.00 0.00 C ATOM 0 HA PRO A 9 6.862 2.991 14.625 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.144 1.168 16.595 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.778 2.874 16.762 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.982 0.623 15.924 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.613 2.022 16.913 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.899 1.829 14.265 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.157 3.363 15.073 1.00 0.00 H new ATOM 135 N ALA A 10 5.982 0.325 13.218 1.00 0.00 N ATOM 136 CA ALA A 10 6.503 -0.949 12.651 1.00 0.00 C ATOM 137 C ALA A 10 7.947 -0.781 12.163 1.00 0.00 C ATOM 138 O ALA A 10 8.860 -1.400 12.673 1.00 0.00 O ATOM 139 CB ALA A 10 5.580 -1.278 11.477 1.00 0.00 C ATOM 0 H ALA A 10 5.091 0.640 12.836 1.00 0.00 H new ATOM 0 HA ALA A 10 6.516 -1.743 13.397 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.904 -2.207 11.009 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.558 -1.391 11.838 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.619 -0.471 10.746 1.00 0.00 H new ATOM 145 N LEU A 11 8.155 0.047 11.177 1.00 0.00 N ATOM 146 CA LEU A 11 9.534 0.250 10.647 1.00 0.00 C ATOM 147 C LEU A 11 10.321 1.204 11.552 1.00 0.00 C ATOM 148 O LEU A 11 11.370 0.863 12.061 1.00 0.00 O ATOM 149 CB LEU A 11 9.338 0.868 9.265 1.00 0.00 C ATOM 150 CG LEU A 11 8.613 -0.127 8.351 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.155 0.308 8.174 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.305 -0.161 6.983 1.00 0.00 C ATOM 0 H LEU A 11 7.429 0.593 10.714 1.00 0.00 H new ATOM 0 HA LEU A 11 10.098 -0.682 10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.760 1.789 9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.304 1.134 8.835 1.00 0.00 H new ATOM 0 HG LEU A 11 8.643 -1.120 8.800 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.640 -0.400 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.662 0.333 9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.123 1.301 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.790 -0.868 6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.275 0.832 6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.342 -0.471 7.108 1.00 0.00 H new ATOM 164 N GLY A 12 9.826 2.398 11.753 1.00 0.00 N ATOM 165 CA GLY A 12 10.552 3.368 12.622 1.00 0.00 C ATOM 166 C GLY A 12 9.803 4.705 12.650 1.00 0.00 C ATOM 167 O GLY A 12 8.699 4.806 12.153 1.00 0.00 O ATOM 0 H GLY A 12 8.953 2.741 11.353 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.640 2.969 13.633 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.565 3.517 12.249 1.00 0.00 H new ATOM 171 N PRO A 13 10.432 5.692 13.241 1.00 0.00 N ATOM 172 CA PRO A 13 9.814 7.038 13.339 1.00 0.00 C ATOM 173 C PRO A 13 9.853 7.752 11.984 1.00 0.00 C ATOM 174 O PRO A 13 10.850 8.339 11.609 1.00 0.00 O ATOM 175 CB PRO A 13 10.691 7.762 14.357 1.00 0.00 C ATOM 176 CG PRO A 13 12.017 7.073 14.291 1.00 0.00 C ATOM 177 CD PRO A 13 11.761 5.649 13.867 1.00 0.00 C ATOM 0 HA PRO A 13 8.765 7.003 13.632 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.785 8.821 14.114 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.265 7.701 15.358 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.675 7.573 13.581 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.514 7.102 15.261 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.520 5.300 13.167 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.778 4.970 14.720 1.00 0.00 H new ATOM 185 N GLY A 14 8.775 7.707 11.249 1.00 0.00 N ATOM 186 CA GLY A 14 8.740 8.380 9.920 1.00 0.00 C ATOM 187 C GLY A 14 7.572 7.823 9.105 1.00 0.00 C ATOM 188 O GLY A 14 7.001 8.502 8.274 1.00 0.00 O ATOM 0 H GLY A 14 7.913 7.230 11.514 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.629 9.457 10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.679 8.216 9.391 1.00 0.00 H new ATOM 192 N TRP A 15 7.238 6.578 9.316 1.00 0.00 N ATOM 193 CA TRP A 15 6.133 5.950 8.533 1.00 0.00 C ATOM 194 C TRP A 15 4.759 6.428 9.005 1.00 0.00 C ATOM 195 O TRP A 15 4.590 6.890 10.116 1.00 0.00 O ATOM 196 CB TRP A 15 6.278 4.449 8.779 1.00 0.00 C ATOM 197 CG TRP A 15 7.359 3.901 7.908 1.00 0.00 C ATOM 198 CD1 TRP A 15 8.673 3.881 8.223 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.245 3.297 6.587 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.373 3.295 7.184 1.00 0.00 N ATOM 201 CE2 TRP A 15 8.537 2.922 6.151 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.157 3.041 5.734 1.00 0.00 C ATOM 203 CZ2 TRP A 15 8.743 2.313 4.914 1.00 0.00 C ATOM 204 CZ3 TRP A 15 6.361 2.429 4.487 1.00 0.00 C ATOM 205 CH2 TRP A 15 7.651 2.066 4.077 1.00 0.00 C ATOM 0 H TRP A 15 7.684 5.966 9.999 1.00 0.00 H new ATOM 0 HA TRP A 15 6.200 6.214 7.478 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.512 4.263 9.827 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.336 3.943 8.568 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.106 4.261 9.137 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.383 3.156 7.181 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.159 3.317 6.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 9.739 2.034 4.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.518 2.237 3.839 1.00 0.00 H new ATOM 0 HH2 TRP A 15 7.801 1.596 3.116 1.00 0.00 H new ATOM 216 N LYS A 16 3.776 6.295 8.157 1.00 0.00 N ATOM 217 CA LYS A 16 2.388 6.710 8.518 1.00 0.00 C ATOM 218 C LYS A 16 1.403 5.663 7.992 1.00 0.00 C ATOM 219 O LYS A 16 1.656 5.013 6.998 1.00 0.00 O ATOM 220 CB LYS A 16 2.179 8.052 7.817 1.00 0.00 C ATOM 221 CG LYS A 16 2.558 9.190 8.767 1.00 0.00 C ATOM 222 CD LYS A 16 1.317 9.644 9.538 1.00 0.00 C ATOM 223 CE LYS A 16 1.686 10.806 10.464 1.00 0.00 C ATOM 224 NZ LYS A 16 0.420 11.154 11.165 1.00 0.00 N ATOM 0 H LYS A 16 3.876 5.912 7.217 1.00 0.00 H new ATOM 0 HA LYS A 16 2.234 6.796 9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.787 8.101 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.139 8.154 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.329 8.857 9.461 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.975 10.025 8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.537 9.953 8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.914 8.815 10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.463 10.516 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.071 11.655 9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.114 12.106 10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.316 10.463 10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.576 11.137 12.193 1.00 0.00 H new ATOM 238 N ARG A 17 0.294 5.481 8.653 1.00 0.00 N ATOM 239 CA ARG A 17 -0.693 4.462 8.192 1.00 0.00 C ATOM 240 C ARG A 17 -2.045 5.116 7.882 1.00 0.00 C ATOM 241 O ARG A 17 -2.464 6.050 8.536 1.00 0.00 O ATOM 242 CB ARG A 17 -0.815 3.480 9.365 1.00 0.00 C ATOM 243 CG ARG A 17 -2.091 2.642 9.216 1.00 0.00 C ATOM 244 CD ARG A 17 -1.818 1.199 9.646 1.00 0.00 C ATOM 245 NE ARG A 17 -1.383 1.296 11.067 1.00 0.00 N ATOM 246 CZ ARG A 17 -2.265 1.502 12.007 1.00 0.00 C ATOM 247 NH1 ARG A 17 -3.092 0.552 12.344 1.00 0.00 N ATOM 248 NH2 ARG A 17 -2.319 2.660 12.609 1.00 0.00 N ATOM 0 H ARG A 17 0.027 5.994 9.493 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.377 3.967 7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.057 2.827 9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.837 4.027 10.307 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.889 3.067 9.824 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.433 2.664 8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.711 0.582 9.548 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.046 0.742 9.027 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.396 1.201 11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.050 -0.352 11.873 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.781 0.713 13.078 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.672 3.403 12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.008 2.821 13.344 1.00 0.00 H new ATOM 262 N ARG A 18 -2.728 4.612 6.890 1.00 0.00 N ATOM 263 CA ARG A 18 -4.060 5.170 6.521 1.00 0.00 C ATOM 264 C ARG A 18 -5.009 4.025 6.161 1.00 0.00 C ATOM 265 O ARG A 18 -4.646 3.114 5.443 1.00 0.00 O ATOM 266 CB ARG A 18 -3.797 6.056 5.301 1.00 0.00 C ATOM 267 CG ARG A 18 -5.111 6.679 4.819 1.00 0.00 C ATOM 268 CD ARG A 18 -5.226 8.111 5.349 1.00 0.00 C ATOM 269 NE ARG A 18 -5.262 8.972 4.133 1.00 0.00 N ATOM 270 CZ ARG A 18 -5.993 10.054 4.119 1.00 0.00 C ATOM 271 NH1 ARG A 18 -6.069 10.805 5.185 1.00 0.00 N ATOM 272 NH2 ARG A 18 -6.651 10.383 3.041 1.00 0.00 N ATOM 0 H ARG A 18 -2.417 3.830 6.314 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.521 5.733 7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.084 6.840 5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.349 5.466 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.147 6.680 3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.956 6.084 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.127 8.238 5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.379 8.365 5.987 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.715 8.716 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.557 10.546 6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.640 11.650 5.174 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.594 9.795 2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.222 11.228 3.030 1.00 0.00 H new ATOM 286 N GLU A 19 -6.219 4.058 6.653 1.00 0.00 N ATOM 287 CA GLU A 19 -7.181 2.962 6.333 1.00 0.00 C ATOM 288 C GLU A 19 -8.129 3.402 5.215 1.00 0.00 C ATOM 289 O GLU A 19 -8.811 4.402 5.325 1.00 0.00 O ATOM 290 CB GLU A 19 -7.952 2.715 7.632 1.00 0.00 C ATOM 291 CG GLU A 19 -7.775 1.257 8.063 1.00 0.00 C ATOM 292 CD GLU A 19 -8.599 0.991 9.324 1.00 0.00 C ATOM 293 OE1 GLU A 19 -9.812 1.100 9.249 1.00 0.00 O ATOM 294 OE2 GLU A 19 -8.003 0.685 10.344 1.00 0.00 O ATOM 0 H GLU A 19 -6.582 4.793 7.260 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.679 2.060 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.591 3.383 8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.009 2.936 7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.092 0.589 7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.722 1.049 8.254 1.00 0.00 H new ATOM 301 N VAL A 20 -8.168 2.664 4.139 1.00 0.00 N ATOM 302 CA VAL A 20 -9.064 3.039 3.006 1.00 0.00 C ATOM 303 C VAL A 20 -10.240 2.065 2.911 1.00 0.00 C ATOM 304 O VAL A 20 -10.128 1.006 2.328 1.00 0.00 O ATOM 305 CB VAL A 20 -8.196 2.936 1.750 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.947 3.537 0.561 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.888 3.701 1.961 1.00 0.00 C ATOM 0 H VAL A 20 -7.618 1.817 3.995 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.481 4.038 3.135 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.974 1.887 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.329 3.464 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.878 2.991 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.170 4.585 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.273 3.625 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.108 4.749 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.349 3.274 2.807 1.00 0.00 H new ATOM 317 N PHE A 21 -11.367 2.417 3.469 1.00 0.00 N ATOM 318 CA PHE A 21 -12.553 1.510 3.399 1.00 0.00 C ATOM 319 C PHE A 21 -13.308 1.737 2.085 1.00 0.00 C ATOM 320 O PHE A 21 -14.522 1.786 2.060 1.00 0.00 O ATOM 321 CB PHE A 21 -13.422 1.908 4.593 1.00 0.00 C ATOM 322 CG PHE A 21 -14.009 0.670 5.227 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.187 -0.209 5.939 1.00 0.00 C ATOM 324 CD2 PHE A 21 -15.378 0.402 5.100 1.00 0.00 C ATOM 325 CE1 PHE A 21 -13.732 -1.357 6.527 1.00 0.00 C ATOM 326 CE2 PHE A 21 -15.923 -0.746 5.688 1.00 0.00 C ATOM 327 CZ PHE A 21 -15.100 -1.625 6.401 1.00 0.00 C ATOM 0 H PHE A 21 -11.519 3.292 3.970 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.275 0.456 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.826 2.455 5.323 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.220 2.576 4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.131 -0.002 6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -16.013 1.080 4.549 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.097 -2.035 7.078 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -16.979 -0.953 5.591 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.521 -2.511 6.854 1.00 0.00 H new ATOM 337 N ARG A 22 -12.593 1.867 0.994 1.00 0.00 N ATOM 338 CA ARG A 22 -13.242 2.092 -0.332 1.00 0.00 C ATOM 339 C ARG A 22 -14.247 3.250 -0.264 1.00 0.00 C ATOM 340 O ARG A 22 -14.642 3.690 0.798 1.00 0.00 O ATOM 341 CB ARG A 22 -13.955 0.783 -0.645 1.00 0.00 C ATOM 342 CG ARG A 22 -13.051 -0.096 -1.509 1.00 0.00 C ATOM 343 CD ARG A 22 -12.970 0.481 -2.925 1.00 0.00 C ATOM 344 NE ARG A 22 -11.517 0.529 -3.237 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.855 -0.571 -3.473 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.282 -1.216 -2.493 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.760 -1.024 -4.692 1.00 0.00 N ATOM 0 H ARG A 22 -11.574 1.826 0.968 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.516 2.362 -1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.208 0.264 0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.892 0.982 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.054 -0.151 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.441 -1.113 -1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.507 -0.145 -3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.417 1.474 -2.973 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.034 1.427 -3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.351 -0.861 -1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.766 -2.075 -2.681 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.203 -0.519 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.243 -1.883 -4.878 1.00 0.00 H new ATOM 361 N LYS A 23 -14.661 3.749 -1.395 1.00 0.00 N ATOM 362 CA LYS A 23 -15.637 4.873 -1.402 1.00 0.00 C ATOM 363 C LYS A 23 -16.784 4.581 -2.375 1.00 0.00 C ATOM 364 O LYS A 23 -17.911 4.969 -2.139 1.00 0.00 O ATOM 365 CB LYS A 23 -14.839 6.092 -1.864 1.00 0.00 C ATOM 366 CG LYS A 23 -15.264 7.322 -1.054 1.00 0.00 C ATOM 367 CD LYS A 23 -14.177 7.667 -0.034 1.00 0.00 C ATOM 368 CE LYS A 23 -14.024 6.514 0.962 1.00 0.00 C ATOM 369 NZ LYS A 23 -13.078 7.020 1.996 1.00 0.00 N ATOM 0 H LYS A 23 -14.365 3.426 -2.316 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.088 5.029 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.772 5.911 -1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.007 6.268 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.433 8.168 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.207 7.125 -0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.231 7.849 -0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.437 8.585 0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.983 6.244 1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.635 5.620 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.923 6.284 2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.171 7.263 1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.478 7.867 2.448 1.00 0.00 H new ATOM 383 N SER A 24 -16.509 3.898 -3.466 1.00 0.00 N ATOM 384 CA SER A 24 -17.595 3.583 -4.456 1.00 0.00 C ATOM 385 C SER A 24 -17.006 3.007 -5.749 1.00 0.00 C ATOM 386 O SER A 24 -15.823 2.746 -5.847 1.00 0.00 O ATOM 387 CB SER A 24 -18.294 4.919 -4.747 1.00 0.00 C ATOM 388 OG SER A 24 -18.957 4.855 -6.002 1.00 0.00 O ATOM 0 H SER A 24 -15.584 3.547 -3.713 1.00 0.00 H new ATOM 0 HA SER A 24 -18.285 2.838 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.012 5.143 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.563 5.728 -4.753 1.00 0.00 H new ATOM 0 HG SER A 24 -19.402 5.710 -6.181 1.00 0.00 H new ATOM 394 N GLY A 25 -17.835 2.815 -6.743 1.00 0.00 N ATOM 395 CA GLY A 25 -17.352 2.263 -8.042 1.00 0.00 C ATOM 396 C GLY A 25 -17.797 0.807 -8.176 1.00 0.00 C ATOM 397 O GLY A 25 -18.895 0.513 -8.604 1.00 0.00 O ATOM 0 H GLY A 25 -18.834 3.019 -6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.748 2.853 -8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.265 2.328 -8.095 1.00 0.00 H new ATOM 401 N ALA A 26 -16.941 -0.100 -7.806 1.00 0.00 N ATOM 402 CA ALA A 26 -17.276 -1.552 -7.891 1.00 0.00 C ATOM 403 C ALA A 26 -16.618 -2.274 -6.717 1.00 0.00 C ATOM 404 O ALA A 26 -17.205 -3.123 -6.075 1.00 0.00 O ATOM 405 CB ALA A 26 -16.676 -2.017 -9.219 1.00 0.00 C ATOM 0 H ALA A 26 -16.010 0.103 -7.443 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.347 -1.752 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.879 -3.079 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.122 -1.452 -10.037 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.599 -1.852 -9.209 1.00 0.00 H new ATOM 411 N THR A 27 -15.402 -1.910 -6.430 1.00 0.00 N ATOM 412 CA THR A 27 -14.661 -2.519 -5.294 1.00 0.00 C ATOM 413 C THR A 27 -15.163 -1.931 -3.967 1.00 0.00 C ATOM 414 O THR A 27 -14.697 -2.291 -2.905 1.00 0.00 O ATOM 415 CB THR A 27 -13.202 -2.114 -5.546 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.117 -0.701 -5.707 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.692 -2.794 -6.820 1.00 0.00 C ATOM 0 H THR A 27 -14.880 -1.201 -6.946 1.00 0.00 H new ATOM 0 HA THR A 27 -14.789 -3.599 -5.228 1.00 0.00 H new ATOM 0 HB THR A 27 -12.594 -2.423 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.752 -0.494 -6.593 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.656 -2.505 -6.997 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.752 -3.876 -6.704 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.304 -2.485 -7.667 1.00 0.00 H new ATOM 425 N CYS A 28 -16.101 -1.016 -4.030 1.00 0.00 N ATOM 426 CA CYS A 28 -16.641 -0.377 -2.790 1.00 0.00 C ATOM 427 C CYS A 28 -16.910 -1.412 -1.691 1.00 0.00 C ATOM 428 O CYS A 28 -17.483 -2.457 -1.935 1.00 0.00 O ATOM 429 CB CYS A 28 -17.948 0.289 -3.229 1.00 0.00 C ATOM 430 SG CYS A 28 -19.086 -0.959 -3.884 1.00 0.00 S ATOM 0 H CYS A 28 -16.519 -0.682 -4.898 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.931 0.333 -2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.406 0.804 -2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.745 1.043 -3.989 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.852 -2.102 -3.311 1.00 0.00 H new ATOM 436 N GLY A 29 -16.512 -1.118 -0.481 1.00 0.00 N ATOM 437 CA GLY A 29 -16.756 -2.075 0.639 1.00 0.00 C ATOM 438 C GLY A 29 -15.443 -2.730 1.084 1.00 0.00 C ATOM 439 O GLY A 29 -15.381 -3.363 2.120 1.00 0.00 O ATOM 0 H GLY A 29 -16.029 -0.258 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.211 -1.551 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.462 -2.842 0.322 1.00 0.00 H new ATOM 443 N ARG A 30 -14.394 -2.591 0.315 1.00 0.00 N ATOM 444 CA ARG A 30 -13.095 -3.215 0.709 1.00 0.00 C ATOM 445 C ARG A 30 -12.280 -2.249 1.571 1.00 0.00 C ATOM 446 O ARG A 30 -12.385 -1.045 1.438 1.00 0.00 O ATOM 447 CB ARG A 30 -12.375 -3.501 -0.608 1.00 0.00 C ATOM 448 CG ARG A 30 -13.123 -4.600 -1.365 1.00 0.00 C ATOM 449 CD ARG A 30 -12.562 -4.711 -2.784 1.00 0.00 C ATOM 450 NE ARG A 30 -12.514 -6.172 -3.064 1.00 0.00 N ATOM 451 CZ ARG A 30 -11.652 -6.644 -3.923 1.00 0.00 C ATOM 452 NH1 ARG A 30 -11.499 -6.061 -5.081 1.00 0.00 N ATOM 453 NH2 ARG A 30 -10.942 -7.696 -3.623 1.00 0.00 N ATOM 0 H ARG A 30 -14.380 -2.075 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.236 -4.120 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.326 -2.596 -1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.348 -3.811 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.017 -5.552 -0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.188 -4.372 -1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.197 -4.192 -3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.571 -4.263 -2.853 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.155 -6.804 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.053 -5.237 -5.314 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.825 -6.430 -5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.060 -8.150 -2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.268 -8.065 -4.294 1.00 0.00 H new ATOM 467 N SER A 31 -11.470 -2.768 2.456 1.00 0.00 N ATOM 468 CA SER A 31 -10.650 -1.881 3.331 1.00 0.00 C ATOM 469 C SER A 31 -9.158 -2.097 3.065 1.00 0.00 C ATOM 470 O SER A 31 -8.584 -3.092 3.463 1.00 0.00 O ATOM 471 CB SER A 31 -11.006 -2.293 4.757 1.00 0.00 C ATOM 472 OG SER A 31 -10.476 -3.585 5.021 1.00 0.00 O ATOM 0 H SER A 31 -11.341 -3.768 2.610 1.00 0.00 H new ATOM 0 HA SER A 31 -10.851 -0.825 3.149 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.604 -1.571 5.467 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.088 -2.298 4.886 1.00 0.00 H new ATOM 0 HG SER A 31 -9.814 -3.813 4.336 1.00 0.00 H new ATOM 478 N ASP A 32 -8.528 -1.167 2.399 1.00 0.00 N ATOM 479 CA ASP A 32 -7.073 -1.308 2.106 1.00 0.00 C ATOM 480 C ASP A 32 -6.274 -0.295 2.927 1.00 0.00 C ATOM 481 O ASP A 32 -6.565 0.884 2.927 1.00 0.00 O ATOM 482 CB ASP A 32 -6.937 -1.021 0.610 1.00 0.00 C ATOM 483 CG ASP A 32 -7.410 -2.237 -0.188 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.033 -3.340 0.171 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.141 -2.044 -1.146 1.00 0.00 O ATOM 0 H ASP A 32 -8.960 -0.314 2.044 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.692 -2.296 2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.527 -0.145 0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.899 -0.793 0.365 1.00 0.00 H new ATOM 490 N THR A 33 -5.272 -0.746 3.630 1.00 0.00 N ATOM 491 CA THR A 33 -4.459 0.192 4.453 1.00 0.00 C ATOM 492 C THR A 33 -3.168 0.556 3.718 1.00 0.00 C ATOM 493 O THR A 33 -2.380 -0.298 3.364 1.00 0.00 O ATOM 494 CB THR A 33 -4.149 -0.574 5.741 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.360 -1.066 6.301 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.465 0.362 6.738 1.00 0.00 C ATOM 0 H THR A 33 -4.981 -1.723 3.670 1.00 0.00 H new ATOM 0 HA THR A 33 -4.983 1.126 4.653 1.00 0.00 H new ATOM 0 HB THR A 33 -3.487 -1.411 5.518 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.163 -1.558 7.125 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.244 -0.183 7.656 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.537 0.738 6.307 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.126 1.199 6.963 1.00 0.00 H new ATOM 504 N TYR A 34 -2.948 1.823 3.489 1.00 0.00 N ATOM 505 CA TYR A 34 -1.711 2.255 2.780 1.00 0.00 C ATOM 506 C TYR A 34 -0.734 2.867 3.786 1.00 0.00 C ATOM 507 O TYR A 34 -1.126 3.282 4.860 1.00 0.00 O ATOM 508 CB TYR A 34 -2.184 3.297 1.770 1.00 0.00 C ATOM 509 CG TYR A 34 -3.047 2.620 0.734 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.348 2.218 1.058 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.542 2.389 -0.549 1.00 0.00 C ATOM 512 CE1 TYR A 34 -5.144 1.588 0.096 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.338 1.758 -1.511 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.639 1.357 -1.188 1.00 0.00 C ATOM 515 OH TYR A 34 -5.425 0.734 -2.137 1.00 0.00 O ATOM 0 H TYR A 34 -3.575 2.579 3.764 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.190 1.432 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.747 4.082 2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.328 3.775 1.293 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.737 2.394 2.050 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.537 2.698 -0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.149 1.280 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.948 1.580 -2.503 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.923 0.652 -2.975 1.00 0.00 H new ATOM 525 N TYR A 35 0.531 2.917 3.464 1.00 0.00 N ATOM 526 CA TYR A 35 1.511 3.494 4.435 1.00 0.00 C ATOM 527 C TYR A 35 2.560 4.343 3.715 1.00 0.00 C ATOM 528 O TYR A 35 2.998 4.020 2.628 1.00 0.00 O ATOM 529 CB TYR A 35 2.183 2.291 5.115 1.00 0.00 C ATOM 530 CG TYR A 35 1.233 1.115 5.165 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.161 0.229 4.082 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.424 0.913 6.289 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.279 -0.856 4.124 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.457 -0.175 6.330 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.529 -1.059 5.247 1.00 0.00 C ATOM 536 OH TYR A 35 -1.399 -2.129 5.286 1.00 0.00 O ATOM 0 H TYR A 35 0.926 2.588 2.583 1.00 0.00 H new ATOM 0 HA TYR A 35 1.014 4.145 5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.086 2.015 4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.491 2.561 6.125 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.786 0.384 3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.479 1.596 7.124 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.222 -1.538 3.288 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.081 -0.332 7.197 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.326 -2.641 4.453 1.00 0.00 H new ATOM 546 N GLN A 36 2.982 5.417 4.330 1.00 0.00 N ATOM 547 CA GLN A 36 4.022 6.282 3.703 1.00 0.00 C ATOM 548 C GLN A 36 5.382 5.959 4.321 1.00 0.00 C ATOM 549 O GLN A 36 5.478 5.640 5.491 1.00 0.00 O ATOM 550 CB GLN A 36 3.608 7.720 4.031 1.00 0.00 C ATOM 551 CG GLN A 36 4.639 8.701 3.455 1.00 0.00 C ATOM 552 CD GLN A 36 4.991 9.753 4.509 1.00 0.00 C ATOM 553 OE1 GLN A 36 4.159 10.131 5.308 1.00 0.00 O ATOM 554 NE2 GLN A 36 6.200 10.244 4.544 1.00 0.00 N ATOM 0 H GLN A 36 2.650 5.732 5.241 1.00 0.00 H new ATOM 0 HA GLN A 36 4.103 6.130 2.627 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.622 7.928 3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.533 7.849 5.111 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.537 8.163 3.149 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.238 9.184 2.564 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.899 9.926 3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.446 10.945 5.243 1.00 0.00 H new ATOM 563 N SER A 37 6.430 6.031 3.544 1.00 0.00 N ATOM 564 CA SER A 37 7.792 5.718 4.077 1.00 0.00 C ATOM 565 C SER A 37 8.091 6.544 5.332 1.00 0.00 C ATOM 566 O SER A 37 7.248 7.288 5.794 1.00 0.00 O ATOM 567 CB SER A 37 8.746 6.088 2.950 1.00 0.00 C ATOM 568 OG SER A 37 9.203 4.897 2.326 1.00 0.00 O ATOM 0 H SER A 37 6.403 6.294 2.559 1.00 0.00 H new ATOM 0 HA SER A 37 7.886 4.672 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.242 6.725 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.590 6.656 3.341 1.00 0.00 H new ATOM 0 HG SER A 37 10.171 4.813 2.451 1.00 0.00 H new ATOM 574 N PRO A 38 9.281 6.380 5.860 1.00 0.00 N ATOM 575 CA PRO A 38 9.655 7.114 7.078 1.00 0.00 C ATOM 576 C PRO A 38 10.111 8.536 6.755 1.00 0.00 C ATOM 577 O PRO A 38 10.320 9.335 7.647 1.00 0.00 O ATOM 578 CB PRO A 38 10.801 6.301 7.657 1.00 0.00 C ATOM 579 CG PRO A 38 11.402 5.572 6.498 1.00 0.00 C ATOM 580 CD PRO A 38 10.373 5.516 5.391 1.00 0.00 C ATOM 0 HA PRO A 38 8.818 7.222 7.768 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.536 6.947 8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.444 5.605 8.416 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.303 6.081 6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.698 4.565 6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.785 5.874 4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.027 4.496 5.221 1.00 0.00 H new ATOM 588 N THR A 39 10.285 8.869 5.503 1.00 0.00 N ATOM 589 CA THR A 39 10.747 10.254 5.200 1.00 0.00 C ATOM 590 C THR A 39 10.454 10.688 3.753 1.00 0.00 C ATOM 591 O THR A 39 10.647 11.841 3.415 1.00 0.00 O ATOM 592 CB THR A 39 12.249 10.210 5.472 1.00 0.00 C ATOM 593 OG1 THR A 39 12.798 11.510 5.304 1.00 0.00 O ATOM 594 CG2 THR A 39 12.927 9.236 4.506 1.00 0.00 C ATOM 0 H THR A 39 10.132 8.261 4.698 1.00 0.00 H new ATOM 0 HA THR A 39 10.221 10.989 5.809 1.00 0.00 H new ATOM 0 HB THR A 39 12.419 9.872 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.309 11.983 4.598 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.998 9.211 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.509 8.239 4.642 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.758 9.564 3.480 1.00 0.00 H new ATOM 602 N GLY A 40 9.984 9.818 2.892 1.00 0.00 N ATOM 603 CA GLY A 40 9.692 10.278 1.498 1.00 0.00 C ATOM 604 C GLY A 40 9.567 9.104 0.521 1.00 0.00 C ATOM 605 O GLY A 40 10.488 8.788 -0.207 1.00 0.00 O ATOM 0 H GLY A 40 9.794 8.835 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.767 10.854 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.486 10.946 1.163 1.00 0.00 H new ATOM 609 N ASP A 41 8.417 8.484 0.479 1.00 0.00 N ATOM 610 CA ASP A 41 8.178 7.349 -0.470 1.00 0.00 C ATOM 611 C ASP A 41 6.813 6.720 -0.160 1.00 0.00 C ATOM 612 O ASP A 41 6.576 6.229 0.926 1.00 0.00 O ATOM 613 CB ASP A 41 9.328 6.354 -0.248 1.00 0.00 C ATOM 614 CG ASP A 41 8.918 4.954 -0.718 1.00 0.00 C ATOM 615 OD1 ASP A 41 8.376 4.853 -1.807 1.00 0.00 O ATOM 616 OD2 ASP A 41 9.151 4.011 0.018 1.00 0.00 O ATOM 0 H ASP A 41 7.619 8.718 1.070 1.00 0.00 H new ATOM 0 HA ASP A 41 8.159 7.668 -1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.213 6.683 -0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.596 6.327 0.808 1.00 0.00 H new ATOM 621 N ARG A 42 5.909 6.750 -1.102 1.00 0.00 N ATOM 622 CA ARG A 42 4.552 6.176 -0.857 1.00 0.00 C ATOM 623 C ARG A 42 4.572 4.650 -0.992 1.00 0.00 C ATOM 624 O ARG A 42 5.156 4.102 -1.905 1.00 0.00 O ATOM 625 CB ARG A 42 3.659 6.799 -1.934 1.00 0.00 C ATOM 626 CG ARG A 42 2.502 7.550 -1.270 1.00 0.00 C ATOM 627 CD ARG A 42 3.051 8.739 -0.476 1.00 0.00 C ATOM 628 NE ARG A 42 3.243 9.818 -1.484 1.00 0.00 N ATOM 629 CZ ARG A 42 4.242 10.651 -1.367 1.00 0.00 C ATOM 630 NH1 ARG A 42 4.458 11.255 -0.230 1.00 0.00 N ATOM 631 NH2 ARG A 42 5.024 10.878 -2.385 1.00 0.00 N ATOM 0 H ARG A 42 6.050 7.147 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 42 4.195 6.392 0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.241 7.481 -2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.271 6.022 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.799 7.898 -2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.952 6.880 -0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.356 9.047 0.305 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.990 8.486 0.015 1.00 0.00 H new ATOM 0 HE ARG A 42 2.594 9.907 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.847 11.076 0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.238 11.906 -0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.856 10.405 -3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.804 11.529 -2.294 1.00 0.00 H new ATOM 645 N ILE A 43 3.925 3.966 -0.084 1.00 0.00 N ATOM 646 CA ILE A 43 3.886 2.476 -0.145 1.00 0.00 C ATOM 647 C ILE A 43 2.433 2.000 -0.050 1.00 0.00 C ATOM 648 O ILE A 43 1.563 2.719 0.404 1.00 0.00 O ATOM 649 CB ILE A 43 4.713 2.006 1.067 1.00 0.00 C ATOM 650 CG1 ILE A 43 5.981 1.303 0.575 1.00 0.00 C ATOM 651 CG2 ILE A 43 3.900 1.032 1.926 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.182 2.223 0.767 1.00 0.00 C ATOM 0 H ILE A 43 3.420 4.378 0.700 1.00 0.00 H new ATOM 0 HA ILE A 43 4.289 2.075 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 43 4.976 2.875 1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.130 0.374 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.877 1.038 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.500 0.710 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.998 1.528 2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.623 0.164 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.084 1.722 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.032 3.140 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.289 2.465 1.824 1.00 0.00 H new ATOM 664 N ARG A 44 2.165 0.795 -0.472 1.00 0.00 N ATOM 665 CA ARG A 44 0.768 0.278 -0.402 1.00 0.00 C ATOM 666 C ARG A 44 0.750 -1.197 0.013 1.00 0.00 C ATOM 667 O ARG A 44 -0.296 -1.816 0.055 1.00 0.00 O ATOM 668 CB ARG A 44 0.204 0.442 -1.816 1.00 0.00 C ATOM 669 CG ARG A 44 0.481 1.856 -2.329 1.00 0.00 C ATOM 670 CD ARG A 44 -0.430 2.157 -3.520 1.00 0.00 C ATOM 671 NE ARG A 44 -0.915 3.546 -3.290 1.00 0.00 N ATOM 672 CZ ARG A 44 -0.894 4.414 -4.265 1.00 0.00 C ATOM 673 NH1 ARG A 44 -1.297 4.068 -5.455 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.468 5.628 -4.046 1.00 0.00 N ATOM 0 H ARG A 44 2.850 0.147 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 44 0.178 0.817 0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.656 -0.291 -2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.869 0.251 -1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.310 2.582 -1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.526 1.948 -2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.113 2.079 -4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.260 1.452 -3.571 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.263 3.819 -2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.629 3.119 -5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.280 4.747 -6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.152 5.897 -3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.451 6.307 -4.807 1.00 0.00 H new ATOM 688 N SER A 45 1.887 -1.776 0.315 1.00 0.00 N ATOM 689 CA SER A 45 1.893 -3.214 0.718 1.00 0.00 C ATOM 690 C SER A 45 3.212 -3.575 1.405 1.00 0.00 C ATOM 691 O SER A 45 4.003 -2.714 1.736 1.00 0.00 O ATOM 692 CB SER A 45 1.730 -3.981 -0.592 1.00 0.00 C ATOM 693 OG SER A 45 0.346 -4.162 -0.860 1.00 0.00 O ATOM 0 H SER A 45 2.800 -1.321 0.300 1.00 0.00 H new ATOM 0 HA SER A 45 1.104 -3.450 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.202 -3.434 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.229 -4.948 -0.525 1.00 0.00 H new ATOM 0 HG SER A 45 -0.156 -3.389 -0.526 1.00 0.00 H new ATOM 699 N LYS A 46 3.457 -4.843 1.625 1.00 0.00 N ATOM 700 CA LYS A 46 4.728 -5.245 2.290 1.00 0.00 C ATOM 701 C LYS A 46 5.860 -5.238 1.269 1.00 0.00 C ATOM 702 O LYS A 46 6.925 -4.706 1.518 1.00 0.00 O ATOM 703 CB LYS A 46 4.492 -6.655 2.826 1.00 0.00 C ATOM 704 CG LYS A 46 5.398 -6.893 4.034 1.00 0.00 C ATOM 705 CD LYS A 46 5.238 -8.335 4.517 1.00 0.00 C ATOM 706 CE LYS A 46 6.356 -9.193 3.923 1.00 0.00 C ATOM 707 NZ LYS A 46 6.083 -10.572 4.412 1.00 0.00 N ATOM 0 H LYS A 46 2.834 -5.611 1.374 1.00 0.00 H new ATOM 0 HA LYS A 46 5.007 -4.563 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.447 -6.778 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.700 -7.391 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.437 -6.702 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.143 -6.200 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.274 -8.372 5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.266 -8.726 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.349 -9.152 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.336 -8.845 4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.907 -11.177 4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.901 -10.548 5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.250 -10.956 3.921 1.00 0.00 H new ATOM 721 N VAL A 47 5.636 -5.802 0.107 1.00 0.00 N ATOM 722 CA VAL A 47 6.703 -5.792 -0.931 1.00 0.00 C ATOM 723 C VAL A 47 7.128 -4.341 -1.168 1.00 0.00 C ATOM 724 O VAL A 47 8.300 -4.025 -1.189 1.00 0.00 O ATOM 725 CB VAL A 47 6.046 -6.391 -2.171 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.894 -6.106 -3.410 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.904 -7.904 -1.991 1.00 0.00 C ATOM 0 H VAL A 47 4.767 -6.264 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 47 7.595 -6.355 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 47 5.063 -5.940 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.413 -6.539 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.991 -5.029 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.883 -6.547 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.435 -8.333 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.890 -8.348 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.286 -8.110 -1.117 1.00 0.00 H new ATOM 737 N GLU A 48 6.173 -3.451 -1.305 1.00 0.00 N ATOM 738 CA GLU A 48 6.515 -2.012 -1.497 1.00 0.00 C ATOM 739 C GLU A 48 7.435 -1.577 -0.356 1.00 0.00 C ATOM 740 O GLU A 48 8.373 -0.823 -0.537 1.00 0.00 O ATOM 741 CB GLU A 48 5.179 -1.265 -1.443 1.00 0.00 C ATOM 742 CG GLU A 48 5.085 -0.309 -2.638 1.00 0.00 C ATOM 743 CD GLU A 48 3.631 -0.192 -3.103 1.00 0.00 C ATOM 744 OE1 GLU A 48 2.775 -0.798 -2.478 1.00 0.00 O ATOM 745 OE2 GLU A 48 3.396 0.505 -4.077 1.00 0.00 O ATOM 0 H GLU A 48 5.175 -3.662 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 48 7.031 -1.813 -2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.352 -1.974 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.098 -0.708 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.466 0.673 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.708 -0.673 -3.455 1.00 0.00 H new ATOM 752 N LEU A 49 7.179 -2.091 0.818 1.00 0.00 N ATOM 753 CA LEU A 49 8.035 -1.764 1.989 1.00 0.00 C ATOM 754 C LEU A 49 9.402 -2.417 1.791 1.00 0.00 C ATOM 755 O LEU A 49 10.434 -1.797 1.947 1.00 0.00 O ATOM 756 CB LEU A 49 7.313 -2.392 3.185 1.00 0.00 C ATOM 757 CG LEU A 49 7.323 -1.426 4.368 1.00 0.00 C ATOM 758 CD1 LEU A 49 6.104 -0.509 4.280 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.268 -2.223 5.674 1.00 0.00 C ATOM 0 H LEU A 49 6.407 -2.728 1.014 1.00 0.00 H new ATOM 0 HA LEU A 49 8.189 -0.694 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.286 -2.636 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.800 -3.327 3.464 1.00 0.00 H new ATOM 0 HG LEU A 49 8.233 -0.827 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.107 0.182 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.139 0.055 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.195 -1.109 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.275 -1.536 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.356 -2.819 5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.134 -2.882 5.735 1.00 0.00 H new ATOM 771 N THR A 50 9.399 -3.671 1.432 1.00 0.00 N ATOM 772 CA THR A 50 10.679 -4.398 1.199 1.00 0.00 C ATOM 773 C THR A 50 11.492 -3.693 0.107 1.00 0.00 C ATOM 774 O THR A 50 12.693 -3.851 0.016 1.00 0.00 O ATOM 775 CB THR A 50 10.247 -5.794 0.742 1.00 0.00 C ATOM 776 OG1 THR A 50 9.452 -6.393 1.755 1.00 0.00 O ATOM 777 CG2 THR A 50 11.480 -6.661 0.485 1.00 0.00 C ATOM 0 H THR A 50 8.557 -4.228 1.289 1.00 0.00 H new ATOM 0 HA THR A 50 11.312 -4.435 2.085 1.00 0.00 H new ATOM 0 HB THR A 50 9.670 -5.710 -0.179 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.535 -6.053 1.695 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.166 -7.653 0.160 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.092 -6.202 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.062 -6.747 1.403 1.00 0.00 H new ATOM 785 N ARG A 51 10.846 -2.916 -0.722 1.00 0.00 N ATOM 786 CA ARG A 51 11.581 -2.202 -1.808 1.00 0.00 C ATOM 787 C ARG A 51 12.377 -1.030 -1.226 1.00 0.00 C ATOM 788 O ARG A 51 13.574 -0.926 -1.413 1.00 0.00 O ATOM 789 CB ARG A 51 10.498 -1.684 -2.756 1.00 0.00 C ATOM 790 CG ARG A 51 9.622 -2.847 -3.229 1.00 0.00 C ATOM 791 CD ARG A 51 9.642 -2.921 -4.758 1.00 0.00 C ATOM 792 NE ARG A 51 9.163 -4.293 -5.085 1.00 0.00 N ATOM 793 CZ ARG A 51 9.089 -4.678 -6.330 1.00 0.00 C ATOM 794 NH1 ARG A 51 10.162 -5.075 -6.956 1.00 0.00 N ATOM 795 NH2 ARG A 51 7.940 -4.663 -6.948 1.00 0.00 N ATOM 0 H ARG A 51 9.841 -2.745 -0.694 1.00 0.00 H new ATOM 0 HA ARG A 51 12.291 -2.854 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.885 -0.938 -2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.957 -1.191 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.985 -3.784 -2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.600 -2.712 -2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.995 -2.162 -5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.645 -2.750 -5.148 1.00 0.00 H new ATOM 0 HE ARG A 51 8.893 -4.931 -4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.060 -5.085 -6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.103 -5.376 -7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.102 -4.351 -6.458 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.880 -4.963 -7.921 1.00 0.00 H new ATOM 809 N TYR A 52 11.717 -0.146 -0.527 1.00 0.00 N ATOM 810 CA TYR A 52 12.429 1.027 0.067 1.00 0.00 C ATOM 811 C TYR A 52 13.417 0.573 1.148 1.00 0.00 C ATOM 812 O TYR A 52 14.248 1.337 1.599 1.00 0.00 O ATOM 813 CB TYR A 52 11.326 1.887 0.687 1.00 0.00 C ATOM 814 CG TYR A 52 11.713 3.348 0.623 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.105 3.917 -0.595 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.670 4.136 1.781 1.00 0.00 C ATOM 817 CE1 TYR A 52 12.453 5.272 -0.654 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.018 5.490 1.720 1.00 0.00 C ATOM 819 CZ TYR A 52 12.409 6.058 0.503 1.00 0.00 C ATOM 820 OH TYR A 52 12.752 7.393 0.444 1.00 0.00 O ATOM 0 H TYR A 52 10.715 -0.184 -0.340 1.00 0.00 H new ATOM 0 HA TYR A 52 13.008 1.570 -0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.387 1.727 0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.161 1.591 1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 52 12.139 3.311 -1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.368 3.698 2.721 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.756 5.711 -1.593 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.985 6.097 2.613 1.00 0.00 H new ATOM 0 HH TYR A 52 11.958 7.925 0.227 1.00 0.00 H new ATOM 830 N LEU A 53 13.327 -0.658 1.577 1.00 0.00 N ATOM 831 CA LEU A 53 14.256 -1.147 2.639 1.00 0.00 C ATOM 832 C LEU A 53 15.344 -2.048 2.041 1.00 0.00 C ATOM 833 O LEU A 53 16.215 -2.526 2.742 1.00 0.00 O ATOM 834 CB LEU A 53 13.368 -1.937 3.602 1.00 0.00 C ATOM 835 CG LEU A 53 12.230 -1.042 4.098 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.215 -1.883 4.872 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.797 0.050 5.012 1.00 0.00 C ATOM 0 H LEU A 53 12.653 -1.345 1.239 1.00 0.00 H new ATOM 0 HA LEU A 53 14.776 -0.328 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.962 -2.816 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.957 -2.295 4.446 1.00 0.00 H new ATOM 0 HG LEU A 53 11.737 -0.578 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.406 -1.243 5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.809 -2.655 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.706 -2.351 5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.986 0.687 5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.293 -0.412 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.516 0.652 4.457 1.00 0.00 H new ATOM 849 N GLY A 54 15.307 -2.281 0.755 1.00 0.00 N ATOM 850 CA GLY A 54 16.345 -3.146 0.123 1.00 0.00 C ATOM 851 C GLY A 54 15.753 -4.524 -0.184 1.00 0.00 C ATOM 852 O GLY A 54 14.817 -4.954 0.460 1.00 0.00 O ATOM 0 H GLY A 54 14.604 -1.910 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.708 -2.683 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.202 -3.248 0.789 1.00 0.00 H new ATOM 856 N PRO A 55 16.322 -5.177 -1.164 1.00 0.00 N ATOM 857 CA PRO A 55 15.841 -6.524 -1.560 1.00 0.00 C ATOM 858 C PRO A 55 16.192 -7.554 -0.482 1.00 0.00 C ATOM 859 O PRO A 55 15.550 -8.578 -0.357 1.00 0.00 O ATOM 860 CB PRO A 55 16.595 -6.808 -2.857 1.00 0.00 C ATOM 861 CG PRO A 55 17.823 -5.958 -2.782 1.00 0.00 C ATOM 862 CD PRO A 55 17.456 -4.734 -1.986 1.00 0.00 C ATOM 0 HA PRO A 55 14.759 -6.575 -1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.850 -7.864 -2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.992 -6.554 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.639 -6.499 -2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.164 -5.682 -3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.288 -4.394 -1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.179 -3.903 -2.635 1.00 0.00 H new ATOM 870 N ALA A 56 17.204 -7.287 0.301 1.00 0.00 N ATOM 871 CA ALA A 56 17.593 -8.247 1.375 1.00 0.00 C ATOM 872 C ALA A 56 16.987 -7.814 2.714 1.00 0.00 C ATOM 873 O ALA A 56 17.463 -8.188 3.769 1.00 0.00 O ATOM 874 CB ALA A 56 19.119 -8.183 1.429 1.00 0.00 C ATOM 0 H ALA A 56 17.778 -6.446 0.243 1.00 0.00 H new ATOM 0 HA ALA A 56 17.236 -9.258 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.485 -8.864 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.530 -8.473 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.432 -7.166 1.666 1.00 0.00 H new ATOM 880 N CYS A 57 15.940 -7.031 2.681 1.00 0.00 N ATOM 881 CA CYS A 57 15.303 -6.576 3.950 1.00 0.00 C ATOM 882 C CYS A 57 13.876 -7.124 4.048 1.00 0.00 C ATOM 883 O CYS A 57 12.914 -6.380 4.073 1.00 0.00 O ATOM 884 CB CYS A 57 15.289 -5.048 3.863 1.00 0.00 C ATOM 885 SG CYS A 57 15.487 -4.347 5.520 1.00 0.00 S ATOM 0 H CYS A 57 15.499 -6.687 1.828 1.00 0.00 H new ATOM 0 HA CYS A 57 15.840 -6.926 4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.092 -4.703 3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.353 -4.707 3.422 1.00 0.00 H new ATOM 0 HG CYS A 57 15.924 -3.126 5.425 1.00 0.00 H new ATOM 891 N ASP A 58 13.733 -8.422 4.102 1.00 0.00 N ATOM 892 CA ASP A 58 12.369 -9.025 4.197 1.00 0.00 C ATOM 893 C ASP A 58 11.659 -8.539 5.463 1.00 0.00 C ATOM 894 O ASP A 58 12.284 -8.076 6.396 1.00 0.00 O ATOM 895 CB ASP A 58 12.603 -10.534 4.267 1.00 0.00 C ATOM 896 CG ASP A 58 12.307 -11.164 2.904 1.00 0.00 C ATOM 897 OD1 ASP A 58 11.307 -10.798 2.309 1.00 0.00 O ATOM 898 OD2 ASP A 58 13.087 -12.000 2.478 1.00 0.00 O ATOM 0 H ASP A 58 14.502 -9.092 4.084 1.00 0.00 H new ATOM 0 HA ASP A 58 11.740 -8.747 3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.633 -10.739 4.558 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.963 -10.976 5.030 1.00 0.00 H new ATOM 903 N LEU A 59 10.358 -8.646 5.500 1.00 0.00 N ATOM 904 CA LEU A 59 9.605 -8.194 6.705 1.00 0.00 C ATOM 905 C LEU A 59 8.496 -9.197 7.039 1.00 0.00 C ATOM 906 O LEU A 59 7.323 -8.903 6.921 1.00 0.00 O ATOM 907 CB LEU A 59 9.005 -6.842 6.319 1.00 0.00 C ATOM 908 CG LEU A 59 10.127 -5.838 6.044 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.523 -4.519 5.555 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.922 -5.591 7.332 1.00 0.00 C ATOM 0 H LEU A 59 9.784 -9.027 4.748 1.00 0.00 H new ATOM 0 HA LEU A 59 10.243 -8.117 7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.377 -6.951 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.365 -6.475 7.121 1.00 0.00 H new ATOM 0 HG LEU A 59 10.792 -6.239 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.322 -3.804 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.960 -4.694 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.857 -4.119 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.721 -4.876 7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.258 -5.191 8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.353 -6.530 7.679 1.00 0.00 H new ATOM 922 N THR A 60 8.862 -10.380 7.453 1.00 0.00 N ATOM 923 CA THR A 60 7.833 -11.408 7.791 1.00 0.00 C ATOM 924 C THR A 60 7.192 -11.100 9.150 1.00 0.00 C ATOM 925 O THR A 60 6.224 -11.722 9.541 1.00 0.00 O ATOM 926 CB THR A 60 8.592 -12.737 7.847 1.00 0.00 C ATOM 927 OG1 THR A 60 9.768 -12.652 7.051 1.00 0.00 O ATOM 928 CG2 THR A 60 7.698 -13.857 7.315 1.00 0.00 C ATOM 0 H THR A 60 9.830 -10.680 7.572 1.00 0.00 H new ATOM 0 HA THR A 60 7.026 -11.431 7.058 1.00 0.00 H new ATOM 0 HB THR A 60 8.869 -12.950 8.879 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.252 -13.503 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.238 -14.803 7.355 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.799 -13.926 7.927 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.419 -13.641 6.284 1.00 0.00 H new ATOM 936 N LEU A 61 7.724 -10.150 9.874 1.00 0.00 N ATOM 937 CA LEU A 61 7.144 -9.809 11.206 1.00 0.00 C ATOM 938 C LEU A 61 6.240 -8.575 11.100 1.00 0.00 C ATOM 939 O LEU A 61 5.409 -8.334 11.952 1.00 0.00 O ATOM 940 CB LEU A 61 8.351 -9.517 12.097 1.00 0.00 C ATOM 941 CG LEU A 61 9.196 -10.784 12.235 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.677 -10.407 12.305 1.00 0.00 C ATOM 943 CD2 LEU A 61 8.798 -11.527 13.514 1.00 0.00 C ATOM 0 H LEU A 61 8.535 -9.596 9.600 1.00 0.00 H new ATOM 0 HA LEU A 61 6.526 -10.614 11.603 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.948 -8.713 11.668 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.019 -9.179 13.079 1.00 0.00 H new ATOM 0 HG LEU A 61 9.026 -11.428 11.372 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.278 -11.311 12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.962 -9.879 11.395 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.848 -9.762 13.167 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.400 -12.430 13.612 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.967 -10.882 14.377 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.743 -11.798 13.464 1.00 0.00 H new ATOM 955 N PHE A 62 6.394 -7.796 10.061 1.00 0.00 N ATOM 956 CA PHE A 62 5.537 -6.584 9.908 1.00 0.00 C ATOM 957 C PHE A 62 4.120 -6.990 9.499 1.00 0.00 C ATOM 958 O PHE A 62 3.926 -7.742 8.563 1.00 0.00 O ATOM 959 CB PHE A 62 6.201 -5.757 8.802 1.00 0.00 C ATOM 960 CG PHE A 62 5.282 -4.627 8.386 1.00 0.00 C ATOM 961 CD1 PHE A 62 5.182 -3.475 9.173 1.00 0.00 C ATOM 962 CD2 PHE A 62 4.532 -4.736 7.209 1.00 0.00 C ATOM 963 CE1 PHE A 62 4.333 -2.432 8.785 1.00 0.00 C ATOM 964 CE2 PHE A 62 3.683 -3.693 6.820 1.00 0.00 C ATOM 965 CZ PHE A 62 3.584 -2.541 7.607 1.00 0.00 C ATOM 0 H PHE A 62 7.073 -7.946 9.315 1.00 0.00 H new ATOM 0 HA PHE A 62 5.452 -6.020 10.837 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.150 -5.355 9.156 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.424 -6.392 7.944 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.761 -3.390 10.081 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.608 -5.625 6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.256 -1.543 9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.104 -3.778 5.912 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.930 -1.736 7.306 1.00 0.00 H new ATOM 975 N ASP A 63 3.131 -6.491 10.187 1.00 0.00 N ATOM 976 CA ASP A 63 1.727 -6.839 9.834 1.00 0.00 C ATOM 977 C ASP A 63 1.165 -5.794 8.867 1.00 0.00 C ATOM 978 O ASP A 63 1.140 -4.616 9.160 1.00 0.00 O ATOM 979 CB ASP A 63 0.967 -6.816 11.160 1.00 0.00 C ATOM 980 CG ASP A 63 -0.492 -7.207 10.921 1.00 0.00 C ATOM 981 OD1 ASP A 63 -1.141 -6.543 10.130 1.00 0.00 O ATOM 982 OD2 ASP A 63 -0.937 -8.164 11.533 1.00 0.00 O ATOM 0 H ASP A 63 3.235 -5.857 10.979 1.00 0.00 H new ATOM 0 HA ASP A 63 1.645 -7.808 9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.428 -7.506 11.867 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.020 -5.822 11.604 1.00 0.00 H new ATOM 987 N PHE A 64 0.719 -6.217 7.717 1.00 0.00 N ATOM 988 CA PHE A 64 0.164 -5.248 6.724 1.00 0.00 C ATOM 989 C PHE A 64 -1.027 -4.488 7.328 1.00 0.00 C ATOM 990 O PHE A 64 -1.020 -3.276 7.413 1.00 0.00 O ATOM 991 CB PHE A 64 -0.281 -6.116 5.542 1.00 0.00 C ATOM 992 CG PHE A 64 -1.087 -5.291 4.564 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.440 -4.429 3.671 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.484 -5.391 4.553 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.190 -3.667 2.767 1.00 0.00 C ATOM 996 CE2 PHE A 64 -3.233 -4.629 3.649 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.587 -3.768 2.756 1.00 0.00 C ATOM 0 H PHE A 64 0.714 -7.193 7.419 1.00 0.00 H new ATOM 0 HA PHE A 64 0.891 -4.493 6.424 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.591 -6.537 5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.878 -6.954 5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.637 -4.352 3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.983 -6.056 5.242 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.691 -3.001 2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.310 -4.706 3.641 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.165 -3.181 2.058 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.047 -5.192 7.736 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.244 -4.513 8.320 1.00 0.00 C ATOM 1009 C LYS A 65 -2.858 -3.669 9.543 1.00 0.00 C ATOM 1010 O LYS A 65 -3.096 -2.477 9.580 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.186 -5.650 8.727 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.621 -5.298 8.326 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.746 -5.307 6.799 1.00 0.00 C ATOM 1014 CE LYS A 65 -7.202 -5.044 6.400 1.00 0.00 C ATOM 1015 NZ LYS A 65 -7.531 -3.711 6.980 1.00 0.00 N ATOM 0 H LYS A 65 -2.106 -6.209 7.691 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.707 -3.828 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.881 -6.579 8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.129 -5.815 9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.317 -6.015 8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.888 -4.316 8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.097 -4.546 6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.418 -6.268 6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.319 -5.042 5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.863 -5.818 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.148 -3.190 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.020 -3.839 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.654 -3.172 7.132 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.276 -4.274 10.545 1.00 0.00 N ATOM 1030 CA GLN A 66 -1.891 -3.498 11.764 1.00 0.00 C ATOM 1031 C GLN A 66 -0.792 -2.482 11.431 1.00 0.00 C ATOM 1032 O GLN A 66 -0.937 -1.299 11.671 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.377 -4.539 12.759 1.00 0.00 C ATOM 1034 CG GLN A 66 -2.522 -5.469 13.167 1.00 0.00 C ATOM 1035 CD GLN A 66 -2.151 -6.198 14.460 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -2.800 -6.034 15.473 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -1.124 -7.006 14.467 1.00 0.00 N ATOM 0 H GLN A 66 -2.051 -5.268 10.574 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.730 -2.931 12.167 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.568 -5.116 12.311 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.966 -4.044 13.639 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.437 -4.895 13.310 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.719 -6.190 12.374 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.578 -7.144 13.617 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.868 -7.498 15.323 1.00 0.00 H new ATOM 1046 N GLY A 67 0.308 -2.934 10.888 1.00 0.00 N ATOM 1047 CA GLY A 67 1.413 -1.993 10.549 1.00 0.00 C ATOM 1048 C GLY A 67 2.364 -1.885 11.740 1.00 0.00 C ATOM 1049 O GLY A 67 2.690 -0.805 12.191 1.00 0.00 O ATOM 0 H GLY A 67 0.488 -3.913 10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.951 -2.347 9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.008 -1.012 10.302 1.00 0.00 H new ATOM 1053 N ILE A 68 2.806 -3.000 12.257 1.00 0.00 N ATOM 1054 CA ILE A 68 3.735 -2.971 13.425 1.00 0.00 C ATOM 1055 C ILE A 68 4.704 -4.154 13.361 1.00 0.00 C ATOM 1056 O ILE A 68 4.435 -5.156 12.727 1.00 0.00 O ATOM 1057 CB ILE A 68 2.843 -3.074 14.668 1.00 0.00 C ATOM 1058 CG1 ILE A 68 1.600 -3.916 14.356 1.00 0.00 C ATOM 1059 CG2 ILE A 68 2.413 -1.671 15.100 1.00 0.00 C ATOM 1060 CD1 ILE A 68 0.929 -4.349 15.660 1.00 0.00 C ATOM 0 H ILE A 68 2.564 -3.932 11.920 1.00 0.00 H new ATOM 0 HA ILE A 68 4.338 -2.063 13.439 1.00 0.00 H new ATOM 0 HB ILE A 68 3.403 -3.552 15.472 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.901 -3.339 13.750 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.880 -4.792 13.772 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.779 -1.741 15.984 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.296 -1.076 15.333 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.858 -1.195 14.291 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.046 -4.947 15.434 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.628 -4.942 16.249 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.634 -3.467 16.228 1.00 0.00 H new ATOM 1072 N LEU A 69 5.828 -4.045 14.015 1.00 0.00 N ATOM 1073 CA LEU A 69 6.818 -5.160 13.997 1.00 0.00 C ATOM 1074 C LEU A 69 6.817 -5.879 15.347 1.00 0.00 C ATOM 1075 O LEU A 69 7.615 -5.588 16.216 1.00 0.00 O ATOM 1076 CB LEU A 69 8.170 -4.488 13.742 1.00 0.00 C ATOM 1077 CG LEU A 69 8.530 -4.597 12.257 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.838 -3.844 11.990 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.704 -6.071 11.877 1.00 0.00 C ATOM 0 H LEU A 69 6.104 -3.230 14.562 1.00 0.00 H new ATOM 0 HA LEU A 69 6.590 -5.908 13.237 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.128 -3.440 14.040 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.942 -4.961 14.349 1.00 0.00 H new ATOM 0 HG LEU A 69 7.730 -4.160 11.659 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.094 -3.922 10.933 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.715 -2.794 12.257 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.637 -4.279 12.590 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.960 -6.147 10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.502 -6.509 12.476 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.774 -6.607 12.064 1.00 0.00 H new