USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 56 SER OG : rot 46:sc= 1.13 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -144:sc= 1.29 (180deg=0.75) USER MOD Single : A 29 SER OG : rot 90:sc= 1.21 USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -0.0116 (180deg=-0.148) USER MOD Single : A 34 TYR OH : rot 44:sc= 1.28 USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= -0.105 (180deg=-0.481) USER MOD Single : A 40 SER OG : rot 90:sc= 1.31 USER MOD Single : A 42 CYS SG : rot 88:sc= -0.955 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.282 K(o=-0.28,f=-6.4!) USER MOD Single : A 50 SER OG : rot 150:sc= 1.06 USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 1.03 (180deg=0.896) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.24) USER MOD Single : A 68 SER OG : rot 3:sc= 0.342 USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= 1.49 (180deg=1.2) USER MOD Single : A 77 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00227) USER MOD Single : A 78 THR OG1 : rot -72:sc= 1 USER MOD Single : A 80 SER OG : rot 83:sc= 0.693 USER MOD ----------------------------------------------------------------- ATOM 61 N PHE A 6 14.881 -2.783 -7.558 1.00 71.02 N ATOM 62 CA PHE A 6 14.820 -2.877 -6.107 1.00 62.14 C ATOM 63 C PHE A 6 15.549 -4.132 -5.631 1.00 43.51 C ATOM 64 O PHE A 6 16.137 -4.861 -6.432 1.00 51.34 O ATOM 65 CB PHE A 6 13.368 -2.930 -5.617 1.00 15.34 C ATOM 66 CG PHE A 6 12.575 -1.671 -5.840 1.00 74.43 C ATOM 67 CD1 PHE A 6 12.860 -0.515 -5.126 1.00 13.45 C ATOM 68 CD2 PHE A 6 11.530 -1.651 -6.747 1.00 40.50 C ATOM 69 CE1 PHE A 6 12.116 0.637 -5.318 1.00 2.14 C ATOM 70 CE2 PHE A 6 10.780 -0.505 -6.939 1.00 53.43 C ATOM 71 CZ PHE A 6 11.073 0.641 -6.224 1.00 25.50 C ATOM 0 HA PHE A 6 15.300 -1.989 -5.696 1.00 62.14 H new ATOM 0 HB2 PHE A 6 12.861 -3.754 -6.119 1.00 15.34 H new ATOM 0 HB3 PHE A 6 13.368 -3.157 -4.551 1.00 15.34 H new ATOM 0 HD1 PHE A 6 13.671 -0.514 -4.413 1.00 13.45 H new ATOM 0 HD2 PHE A 6 11.297 -2.541 -7.312 1.00 40.50 H new ATOM 0 HE1 PHE A 6 12.351 1.531 -4.760 1.00 2.14 H new ATOM 0 HE2 PHE A 6 9.965 -0.506 -7.648 1.00 53.43 H new ATOM 0 HZ PHE A 6 10.488 1.537 -6.373 1.00 25.50 H new ATOM 81 N ILE A 7 15.495 -4.381 -4.328 1.00 65.24 N ATOM 82 CA ILE A 7 16.081 -5.584 -3.746 1.00 1.00 C ATOM 83 C ILE A 7 15.295 -6.823 -4.168 1.00 33.22 C ATOM 84 O ILE A 7 15.865 -7.811 -4.635 1.00 64.00 O ATOM 85 CB ILE A 7 16.098 -5.506 -2.202 1.00 10.15 C ATOM 86 CG1 ILE A 7 16.845 -4.254 -1.744 1.00 71.34 C ATOM 87 CG2 ILE A 7 16.739 -6.755 -1.608 1.00 11.44 C ATOM 88 CD1 ILE A 7 16.776 -4.014 -0.252 1.00 11.43 C ATOM 0 H ILE A 7 15.049 -3.762 -3.651 1.00 65.24 H new ATOM 0 HA ILE A 7 17.105 -5.656 -4.112 1.00 1.00 H new ATOM 0 HB ILE A 7 15.069 -5.448 -1.848 1.00 10.15 H new ATOM 0 HG12 ILE A 7 17.890 -4.337 -2.041 1.00 71.34 H new ATOM 0 HG13 ILE A 7 16.434 -3.387 -2.262 1.00 71.34 H new ATOM 0 HG21 ILE A 7 16.741 -6.681 -0.521 1.00 11.44 H new ATOM 0 HG22 ILE A 7 16.171 -7.635 -1.910 1.00 11.44 H new ATOM 0 HG23 ILE A 7 17.764 -6.844 -1.968 1.00 11.44 H new ATOM 0 HD11 ILE A 7 17.329 -3.108 -0.003 1.00 11.43 H new ATOM 0 HD12 ILE A 7 15.735 -3.898 0.050 1.00 11.43 H new ATOM 0 HD13 ILE A 7 17.214 -4.862 0.274 1.00 11.43 H new ATOM 100 N ILE A 8 13.982 -6.755 -4.004 1.00 11.10 N ATOM 101 CA ILE A 8 13.109 -7.884 -4.290 1.00 13.12 C ATOM 102 C ILE A 8 12.556 -7.802 -5.708 1.00 3.40 C ATOM 103 O ILE A 8 12.198 -6.722 -6.187 1.00 62.11 O ATOM 104 CB ILE A 8 11.943 -7.943 -3.278 1.00 4.30 C ATOM 105 CG1 ILE A 8 12.496 -8.044 -1.856 1.00 1.34 C ATOM 106 CG2 ILE A 8 11.024 -9.122 -3.568 1.00 43.43 C ATOM 107 CD1 ILE A 8 11.431 -7.967 -0.785 1.00 33.53 C ATOM 0 H ILE A 8 13.495 -5.923 -3.672 1.00 11.10 H new ATOM 0 HA ILE A 8 13.704 -8.793 -4.199 1.00 13.12 H new ATOM 0 HB ILE A 8 11.358 -7.028 -3.374 1.00 4.30 H new ATOM 0 HG12 ILE A 8 13.037 -8.984 -1.752 1.00 1.34 H new ATOM 0 HG13 ILE A 8 13.217 -7.242 -1.698 1.00 1.34 H new ATOM 0 HG21 ILE A 8 10.213 -9.139 -2.840 1.00 43.43 H new ATOM 0 HG22 ILE A 8 10.610 -9.022 -4.571 1.00 43.43 H new ATOM 0 HG23 ILE A 8 11.591 -10.050 -3.500 1.00 43.43 H new ATOM 0 HD11 ILE A 8 11.897 -8.045 0.197 1.00 33.53 H new ATOM 0 HD12 ILE A 8 10.905 -7.015 -0.862 1.00 33.53 H new ATOM 0 HD13 ILE A 8 10.722 -8.785 -0.917 1.00 33.53 H new ATOM 119 N LYS A 9 12.506 -8.948 -6.370 1.00 51.24 N ATOM 120 CA LYS A 9 11.969 -9.045 -7.716 1.00 41.50 C ATOM 121 C LYS A 9 10.446 -9.110 -7.679 1.00 42.14 C ATOM 122 O LYS A 9 9.826 -8.854 -6.645 1.00 35.34 O ATOM 123 CB LYS A 9 12.504 -10.303 -8.400 1.00 2.41 C ATOM 124 CG LYS A 9 14.017 -10.355 -8.530 1.00 52.22 C ATOM 125 CD LYS A 9 14.448 -11.578 -9.321 1.00 11.52 C ATOM 126 CE LYS A 9 15.958 -11.731 -9.339 1.00 14.33 C ATOM 127 NZ LYS A 9 16.384 -12.874 -10.187 1.00 10.53 N ATOM 0 H LYS A 9 12.836 -9.835 -5.989 1.00 51.24 H new ATOM 0 HA LYS A 9 12.278 -8.161 -8.273 1.00 41.50 H new ATOM 0 HB2 LYS A 9 12.170 -11.176 -7.839 1.00 2.41 H new ATOM 0 HB3 LYS A 9 12.064 -10.375 -9.395 1.00 2.41 H new ATOM 0 HG2 LYS A 9 14.375 -9.452 -9.024 1.00 52.22 H new ATOM 0 HG3 LYS A 9 14.471 -10.378 -7.539 1.00 52.22 H new ATOM 0 HD2 LYS A 9 13.997 -12.470 -8.886 1.00 11.52 H new ATOM 0 HD3 LYS A 9 14.078 -11.499 -10.343 1.00 11.52 H new ATOM 0 HE2 LYS A 9 16.412 -10.813 -9.711 1.00 14.33 H new ATOM 0 HE3 LYS A 9 16.321 -11.877 -8.322 1.00 14.33 H new ATOM 0 HZ1 LYS A 9 17.421 -12.947 -10.175 1.00 10.53 H new ATOM 0 HZ2 LYS A 9 15.970 -13.754 -9.817 1.00 10.53 H new ATOM 0 HZ3 LYS A 9 16.059 -12.722 -11.163 1.00 10.53 H new ATOM 141 N GLU A 10 9.848 -9.447 -8.812 1.00 43.24 N ATOM 142 CA GLU A 10 8.424 -9.673 -8.880 1.00 4.05 C ATOM 143 C GLU A 10 8.102 -11.111 -8.504 1.00 0.41 C ATOM 144 O GLU A 10 9.003 -11.911 -8.236 1.00 45.50 O ATOM 145 CB GLU A 10 7.914 -9.387 -10.283 1.00 1.51 C ATOM 146 CG GLU A 10 7.843 -7.913 -10.625 1.00 44.33 C ATOM 147 CD GLU A 10 7.183 -7.675 -11.964 1.00 74.31 C ATOM 148 OE1 GLU A 10 7.890 -7.688 -12.993 1.00 62.20 O ATOM 149 OE2 GLU A 10 5.948 -7.485 -11.995 1.00 4.41 O ATOM 0 H GLU A 10 10.337 -9.569 -9.699 1.00 43.24 H new ATOM 0 HA GLU A 10 7.933 -9.001 -8.177 1.00 4.05 H new ATOM 0 HB2 GLU A 10 8.563 -9.885 -11.003 1.00 1.51 H new ATOM 0 HB3 GLU A 10 6.921 -9.823 -10.393 1.00 1.51 H new ATOM 0 HG2 GLU A 10 7.288 -7.387 -9.848 1.00 44.33 H new ATOM 0 HG3 GLU A 10 8.849 -7.494 -10.637 1.00 44.33 H new ATOM 156 N GLY A 11 6.822 -11.439 -8.485 1.00 22.35 N ATOM 157 CA GLY A 11 6.410 -12.785 -8.183 1.00 0.13 C ATOM 158 C GLY A 11 4.957 -12.851 -7.788 1.00 3.31 C ATOM 159 O GLY A 11 4.286 -11.826 -7.698 1.00 54.15 O ATOM 0 H GLY A 11 6.058 -10.790 -8.675 1.00 22.35 H new ATOM 0 HA2 GLY A 11 6.579 -13.421 -9.052 1.00 0.13 H new ATOM 0 HA3 GLY A 11 7.025 -13.180 -7.374 1.00 0.13 H new ATOM 163 N ASP A 12 4.475 -14.056 -7.538 1.00 11.51 N ATOM 164 CA ASP A 12 3.077 -14.262 -7.171 1.00 41.35 C ATOM 165 C ASP A 12 2.859 -13.879 -5.720 1.00 14.04 C ATOM 166 O ASP A 12 1.748 -13.562 -5.300 1.00 53.42 O ATOM 167 CB ASP A 12 2.666 -15.720 -7.389 1.00 40.31 C ATOM 168 CG ASP A 12 2.870 -16.171 -8.818 1.00 55.41 C ATOM 169 OD1 ASP A 12 2.145 -15.682 -9.708 1.00 11.23 O ATOM 170 OD2 ASP A 12 3.772 -17.008 -9.059 1.00 21.33 O ATOM 0 H ASP A 12 5.029 -14.911 -7.582 1.00 11.51 H new ATOM 0 HA ASP A 12 2.460 -13.629 -7.808 1.00 41.35 H new ATOM 0 HB2 ASP A 12 3.244 -16.361 -6.723 1.00 40.31 H new ATOM 0 HB3 ASP A 12 1.617 -15.843 -7.119 1.00 40.31 H new ATOM 175 N GLU A 13 3.942 -13.895 -4.963 1.00 30.31 N ATOM 176 CA GLU A 13 3.892 -13.586 -3.547 1.00 33.04 C ATOM 177 C GLU A 13 4.413 -12.180 -3.299 1.00 42.15 C ATOM 178 O GLU A 13 4.675 -11.790 -2.161 1.00 72.30 O ATOM 179 CB GLU A 13 4.703 -14.620 -2.766 1.00 2.14 C ATOM 180 CG GLU A 13 4.349 -16.048 -3.151 1.00 32.13 C ATOM 181 CD GLU A 13 5.093 -17.089 -2.349 1.00 42.51 C ATOM 182 OE1 GLU A 13 6.340 -17.132 -2.431 1.00 12.01 O ATOM 183 OE2 GLU A 13 4.428 -17.890 -1.665 1.00 11.14 O ATOM 0 H GLU A 13 4.874 -14.121 -5.310 1.00 30.31 H new ATOM 0 HA GLU A 13 2.859 -13.627 -3.203 1.00 33.04 H new ATOM 0 HB2 GLU A 13 5.766 -14.452 -2.942 1.00 2.14 H new ATOM 0 HB3 GLU A 13 4.531 -14.481 -1.699 1.00 2.14 H new ATOM 0 HG2 GLU A 13 3.277 -16.197 -3.019 1.00 32.13 H new ATOM 0 HG3 GLU A 13 4.563 -16.194 -4.210 1.00 32.13 H new ATOM 190 N VAL A 14 4.537 -11.417 -4.375 1.00 70.15 N ATOM 191 CA VAL A 14 4.963 -10.031 -4.295 1.00 63.53 C ATOM 192 C VAL A 14 3.855 -9.125 -4.824 1.00 44.44 C ATOM 193 O VAL A 14 3.177 -9.461 -5.795 1.00 42.00 O ATOM 194 CB VAL A 14 6.258 -9.789 -5.108 1.00 42.21 C ATOM 195 CG1 VAL A 14 6.780 -8.377 -4.892 1.00 71.21 C ATOM 196 CG2 VAL A 14 7.327 -10.810 -4.748 1.00 25.52 C ATOM 0 H VAL A 14 4.346 -11.741 -5.323 1.00 70.15 H new ATOM 0 HA VAL A 14 5.169 -9.801 -3.250 1.00 63.53 H new ATOM 0 HB VAL A 14 6.013 -9.907 -6.164 1.00 42.21 H new ATOM 0 HG11 VAL A 14 7.690 -8.233 -5.474 1.00 71.21 H new ATOM 0 HG12 VAL A 14 6.026 -7.658 -5.212 1.00 71.21 H new ATOM 0 HG13 VAL A 14 6.998 -8.227 -3.835 1.00 71.21 H new ATOM 0 HG21 VAL A 14 8.226 -10.617 -5.333 1.00 25.52 H new ATOM 0 HG22 VAL A 14 7.562 -10.732 -3.686 1.00 25.52 H new ATOM 0 HG23 VAL A 14 6.960 -11.813 -4.966 1.00 25.52 H new ATOM 206 N ALA A 15 3.630 -8.010 -4.155 1.00 20.23 N ATOM 207 CA ALA A 15 2.659 -7.031 -4.615 1.00 64.22 C ATOM 208 C ALA A 15 3.321 -5.675 -4.799 1.00 72.13 C ATOM 209 O ALA A 15 3.988 -5.175 -3.890 1.00 70.22 O ATOM 210 CB ALA A 15 1.494 -6.924 -3.634 1.00 22.43 C ATOM 0 H ALA A 15 4.107 -7.758 -3.289 1.00 20.23 H new ATOM 0 HA ALA A 15 2.268 -7.362 -5.577 1.00 64.22 H new ATOM 0 HB1 ALA A 15 0.779 -6.186 -3.997 1.00 22.43 H new ATOM 0 HB2 ALA A 15 1.002 -7.893 -3.546 1.00 22.43 H new ATOM 0 HB3 ALA A 15 1.868 -6.617 -2.657 1.00 22.43 H new ATOM 216 N ASP A 16 3.143 -5.086 -5.972 1.00 33.33 N ATOM 217 CA ASP A 16 3.636 -3.740 -6.228 1.00 1.41 C ATOM 218 C ASP A 16 2.590 -2.745 -5.797 1.00 10.30 C ATOM 219 O ASP A 16 1.464 -2.757 -6.291 1.00 12.42 O ATOM 220 CB ASP A 16 3.927 -3.495 -7.705 1.00 52.14 C ATOM 221 CG ASP A 16 5.197 -4.152 -8.212 1.00 61.30 C ATOM 222 OD1 ASP A 16 5.337 -5.385 -8.093 1.00 54.13 O ATOM 223 OD2 ASP A 16 6.055 -3.422 -8.755 1.00 32.55 O ATOM 0 H ASP A 16 2.662 -5.518 -6.761 1.00 33.33 H new ATOM 0 HA ASP A 16 4.565 -3.626 -5.669 1.00 1.41 H new ATOM 0 HB2 ASP A 16 3.085 -3.858 -8.294 1.00 52.14 H new ATOM 0 HB3 ASP A 16 3.995 -2.421 -7.876 1.00 52.14 H new ATOM 228 N VAL A 17 2.971 -1.881 -4.893 1.00 0.32 N ATOM 229 CA VAL A 17 2.057 -0.895 -4.348 1.00 0.23 C ATOM 230 C VAL A 17 2.670 0.484 -4.454 1.00 60.32 C ATOM 231 O VAL A 17 3.871 0.663 -4.260 1.00 32.22 O ATOM 232 CB VAL A 17 1.708 -1.177 -2.867 1.00 33.11 C ATOM 233 CG1 VAL A 17 0.612 -0.241 -2.373 1.00 42.14 C ATOM 234 CG2 VAL A 17 1.305 -2.631 -2.662 1.00 21.41 C ATOM 0 H VAL A 17 3.916 -1.835 -4.512 1.00 0.32 H new ATOM 0 HA VAL A 17 1.137 -0.951 -4.929 1.00 0.23 H new ATOM 0 HB VAL A 17 2.606 -0.990 -2.278 1.00 33.11 H new ATOM 0 HG11 VAL A 17 0.388 -0.462 -1.330 1.00 42.14 H new ATOM 0 HG12 VAL A 17 0.949 0.792 -2.461 1.00 42.14 H new ATOM 0 HG13 VAL A 17 -0.286 -0.382 -2.975 1.00 42.14 H new ATOM 0 HG21 VAL A 17 1.066 -2.798 -1.612 1.00 21.41 H new ATOM 0 HG22 VAL A 17 0.431 -2.856 -3.273 1.00 21.41 H new ATOM 0 HG23 VAL A 17 2.129 -3.282 -2.954 1.00 21.41 H new ATOM 244 N THR A 18 1.850 1.441 -4.808 1.00 34.04 N ATOM 245 CA THR A 18 2.269 2.818 -4.897 1.00 45.12 C ATOM 246 C THR A 18 1.224 3.700 -4.231 1.00 34.44 C ATOM 247 O THR A 18 0.058 3.709 -4.633 1.00 33.11 O ATOM 248 CB THR A 18 2.476 3.226 -6.366 1.00 4.02 C ATOM 249 OG1 THR A 18 3.313 2.259 -7.014 1.00 63.21 O ATOM 250 CG2 THR A 18 3.129 4.595 -6.472 1.00 65.42 C ATOM 0 H THR A 18 0.870 1.287 -5.044 1.00 34.04 H new ATOM 0 HA THR A 18 3.222 2.942 -4.383 1.00 45.12 H new ATOM 0 HB THR A 18 1.499 3.270 -6.847 1.00 4.02 H new ATOM 0 HG1 THR A 18 3.445 2.516 -7.950 1.00 63.21 H new ATOM 0 HG21 THR A 18 3.262 4.854 -7.522 1.00 65.42 H new ATOM 0 HG22 THR A 18 2.494 5.339 -5.992 1.00 65.42 H new ATOM 0 HG23 THR A 18 4.100 4.574 -5.978 1.00 65.42 H new ATOM 258 N ILE A 19 1.631 4.412 -3.198 1.00 10.51 N ATOM 259 CA ILE A 19 0.702 5.226 -2.436 1.00 12.12 C ATOM 260 C ILE A 19 0.773 6.665 -2.906 1.00 53.42 C ATOM 261 O ILE A 19 1.851 7.170 -3.216 1.00 24.12 O ATOM 262 CB ILE A 19 1.006 5.175 -0.927 1.00 25.52 C ATOM 263 CG1 ILE A 19 1.220 3.730 -0.470 1.00 53.21 C ATOM 264 CG2 ILE A 19 -0.122 5.819 -0.133 1.00 4.34 C ATOM 265 CD1 ILE A 19 1.634 3.604 0.980 1.00 65.32 C ATOM 0 H ILE A 19 2.595 4.444 -2.867 1.00 10.51 H new ATOM 0 HA ILE A 19 -0.298 4.824 -2.599 1.00 12.12 H new ATOM 0 HB ILE A 19 1.923 5.735 -0.744 1.00 25.52 H new ATOM 0 HG12 ILE A 19 0.298 3.169 -0.625 1.00 53.21 H new ATOM 0 HG13 ILE A 19 1.983 3.269 -1.098 1.00 53.21 H new ATOM 0 HG21 ILE A 19 0.110 5.774 0.931 1.00 4.34 H new ATOM 0 HG22 ILE A 19 -0.232 6.860 -0.436 1.00 4.34 H new ATOM 0 HG23 ILE A 19 -1.053 5.285 -0.324 1.00 4.34 H new ATOM 0 HD11 ILE A 19 1.767 2.551 1.230 1.00 65.32 H new ATOM 0 HD12 ILE A 19 2.572 4.136 1.138 1.00 65.32 H new ATOM 0 HD13 ILE A 19 0.862 4.034 1.618 1.00 65.32 H new ATOM 277 N PHE A 20 -0.377 7.304 -2.973 1.00 1.42 N ATOM 278 CA PHE A 20 -0.458 8.690 -3.389 1.00 75.51 C ATOM 279 C PHE A 20 -1.015 9.539 -2.266 1.00 63.31 C ATOM 280 O PHE A 20 -1.965 9.144 -1.584 1.00 21.13 O ATOM 281 CB PHE A 20 -1.332 8.845 -4.632 1.00 74.03 C ATOM 282 CG PHE A 20 -0.798 8.140 -5.848 1.00 35.45 C ATOM 283 CD1 PHE A 20 -0.990 6.777 -6.020 1.00 60.34 C ATOM 284 CD2 PHE A 20 -0.108 8.843 -6.821 1.00 75.24 C ATOM 285 CE1 PHE A 20 -0.502 6.132 -7.138 1.00 21.22 C ATOM 286 CE2 PHE A 20 0.383 8.202 -7.942 1.00 60.14 C ATOM 287 CZ PHE A 20 0.186 6.843 -8.099 1.00 35.53 C ATOM 0 H PHE A 20 -1.276 6.881 -2.743 1.00 1.42 H new ATOM 0 HA PHE A 20 0.550 9.025 -3.634 1.00 75.51 H new ATOM 0 HB2 PHE A 20 -2.329 8.463 -4.412 1.00 74.03 H new ATOM 0 HB3 PHE A 20 -1.439 9.906 -4.858 1.00 74.03 H new ATOM 0 HD1 PHE A 20 -1.527 6.215 -5.271 1.00 60.34 H new ATOM 0 HD2 PHE A 20 0.048 9.905 -6.702 1.00 75.24 H new ATOM 0 HE1 PHE A 20 -0.659 5.070 -7.261 1.00 21.22 H new ATOM 0 HE2 PHE A 20 0.920 8.762 -8.694 1.00 60.14 H new ATOM 0 HZ PHE A 20 0.570 6.338 -8.973 1.00 35.53 H new ATOM 297 N ALA A 21 -0.410 10.694 -2.085 1.00 54.50 N ATOM 298 CA ALA A 21 -0.809 11.642 -1.054 1.00 35.11 C ATOM 299 C ALA A 21 -0.175 12.991 -1.345 1.00 74.42 C ATOM 300 O ALA A 21 0.793 13.070 -2.098 1.00 13.21 O ATOM 301 CB ALA A 21 -0.410 11.138 0.326 1.00 3.41 C ATOM 0 H ALA A 21 0.379 11.008 -2.651 1.00 54.50 H new ATOM 0 HA ALA A 21 -1.894 11.749 -1.062 1.00 35.11 H new ATOM 0 HB1 ALA A 21 -0.718 11.862 1.081 1.00 3.41 H new ATOM 0 HB2 ALA A 21 -0.898 10.183 0.519 1.00 3.41 H new ATOM 0 HB3 ALA A 21 0.671 11.008 0.367 1.00 3.41 H new ATOM 307 N GLU A 22 -0.713 14.047 -0.758 1.00 24.45 N ATOM 308 CA GLU A 22 -0.269 15.391 -1.092 1.00 2.54 C ATOM 309 C GLU A 22 0.974 15.778 -0.295 1.00 4.34 C ATOM 310 O GLU A 22 1.911 16.372 -0.836 1.00 61.12 O ATOM 311 CB GLU A 22 -1.392 16.400 -0.849 1.00 45.13 C ATOM 312 CG GLU A 22 -2.735 15.973 -1.425 1.00 11.41 C ATOM 313 CD GLU A 22 -2.654 15.567 -2.883 1.00 42.00 C ATOM 314 OE1 GLU A 22 -2.653 16.458 -3.756 1.00 14.40 O ATOM 315 OE2 GLU A 22 -2.602 14.353 -3.162 1.00 4.42 O ATOM 0 H GLU A 22 -1.450 14.002 -0.055 1.00 24.45 H new ATOM 0 HA GLU A 22 -0.007 15.404 -2.150 1.00 2.54 H new ATOM 0 HB2 GLU A 22 -1.501 16.558 0.224 1.00 45.13 H new ATOM 0 HB3 GLU A 22 -1.108 17.358 -1.285 1.00 45.13 H new ATOM 0 HG2 GLU A 22 -3.125 15.138 -0.843 1.00 11.41 H new ATOM 0 HG3 GLU A 22 -3.446 16.793 -1.321 1.00 11.41 H new ATOM 322 N THR A 23 0.983 15.438 0.985 1.00 3.04 N ATOM 323 CA THR A 23 2.099 15.776 1.857 1.00 34.13 C ATOM 324 C THR A 23 2.888 14.534 2.250 1.00 64.23 C ATOM 325 O THR A 23 2.321 13.447 2.368 1.00 24.31 O ATOM 326 CB THR A 23 1.612 16.490 3.131 1.00 64.33 C ATOM 327 OG1 THR A 23 0.573 15.722 3.762 1.00 3.30 O ATOM 328 CG2 THR A 23 1.102 17.886 2.807 1.00 12.11 C ATOM 0 H THR A 23 0.229 14.927 1.444 1.00 3.04 H new ATOM 0 HA THR A 23 2.749 16.448 1.297 1.00 34.13 H new ATOM 0 HB THR A 23 2.455 16.581 3.815 1.00 64.33 H new ATOM 0 HG1 THR A 23 0.271 16.183 4.572 1.00 3.30 H new ATOM 0 HG21 THR A 23 0.763 18.371 3.722 1.00 12.11 H new ATOM 0 HG22 THR A 23 1.905 18.473 2.361 1.00 12.11 H new ATOM 0 HG23 THR A 23 0.271 17.816 2.105 1.00 12.11 H new ATOM 336 N LYS A 24 4.191 14.706 2.470 1.00 52.44 N ATOM 337 CA LYS A 24 5.070 13.604 2.852 1.00 10.24 C ATOM 338 C LYS A 24 4.588 12.963 4.145 1.00 0.52 C ATOM 339 O LYS A 24 4.686 11.750 4.326 1.00 54.44 O ATOM 340 CB LYS A 24 6.504 14.107 3.023 1.00 14.51 C ATOM 341 CG LYS A 24 7.527 13.005 3.255 1.00 21.42 C ATOM 342 CD LYS A 24 8.937 13.567 3.335 1.00 11.03 C ATOM 343 CE LYS A 24 9.100 14.509 4.520 1.00 63.20 C ATOM 344 NZ LYS A 24 9.201 13.778 5.811 1.00 61.44 N ATOM 0 H LYS A 24 4.663 15.606 2.389 1.00 52.44 H new ATOM 0 HA LYS A 24 5.048 12.855 2.060 1.00 10.24 H new ATOM 0 HB2 LYS A 24 6.788 14.670 2.134 1.00 14.51 H new ATOM 0 HB3 LYS A 24 6.536 14.800 3.863 1.00 14.51 H new ATOM 0 HG2 LYS A 24 7.291 12.476 4.178 1.00 21.42 H new ATOM 0 HG3 LYS A 24 7.469 12.276 2.446 1.00 21.42 H new ATOM 0 HD2 LYS A 24 9.651 12.748 3.420 1.00 11.03 H new ATOM 0 HD3 LYS A 24 9.170 14.099 2.412 1.00 11.03 H new ATOM 0 HE2 LYS A 24 9.994 15.117 4.378 1.00 63.20 H new ATOM 0 HE3 LYS A 24 8.252 15.193 4.557 1.00 63.20 H new ATOM 0 HZ1 LYS A 24 8.722 14.322 6.556 1.00 61.44 H new ATOM 0 HZ2 LYS A 24 8.750 12.846 5.718 1.00 61.44 H new ATOM 0 HZ3 LYS A 24 10.203 13.654 6.063 1.00 61.44 H new ATOM 358 N ASP A 25 4.065 13.794 5.033 1.00 65.23 N ATOM 359 CA ASP A 25 3.466 13.316 6.277 1.00 71.23 C ATOM 360 C ASP A 25 2.350 12.326 5.981 1.00 54.54 C ATOM 361 O ASP A 25 2.267 11.268 6.599 1.00 74.20 O ATOM 362 CB ASP A 25 2.909 14.489 7.087 1.00 24.01 C ATOM 363 CG ASP A 25 2.213 14.042 8.358 1.00 70.25 C ATOM 364 OD1 ASP A 25 2.899 13.851 9.382 1.00 21.34 O ATOM 365 OD2 ASP A 25 0.974 13.881 8.339 1.00 52.34 O ATOM 0 H ASP A 25 4.042 14.807 4.918 1.00 65.23 H new ATOM 0 HA ASP A 25 4.241 12.817 6.859 1.00 71.23 H new ATOM 0 HB2 ASP A 25 3.722 15.168 7.342 1.00 24.01 H new ATOM 0 HB3 ASP A 25 2.207 15.050 6.471 1.00 24.01 H new ATOM 370 N ALA A 26 1.508 12.674 5.018 1.00 72.30 N ATOM 371 CA ALA A 26 0.416 11.803 4.608 1.00 64.43 C ATOM 372 C ALA A 26 0.955 10.526 3.969 1.00 24.32 C ATOM 373 O ALA A 26 0.392 9.448 4.165 1.00 34.34 O ATOM 374 CB ALA A 26 -0.517 12.529 3.655 1.00 35.44 C ATOM 0 H ALA A 26 1.560 13.554 4.506 1.00 72.30 H new ATOM 0 HA ALA A 26 -0.152 11.525 5.496 1.00 64.43 H new ATOM 0 HB1 ALA A 26 -1.327 11.862 3.360 1.00 35.44 H new ATOM 0 HB2 ALA A 26 -0.932 13.407 4.150 1.00 35.44 H new ATOM 0 HB3 ALA A 26 0.037 12.841 2.770 1.00 35.44 H new ATOM 380 N LEU A 27 2.048 10.646 3.212 1.00 63.41 N ATOM 381 CA LEU A 27 2.722 9.477 2.658 1.00 54.25 C ATOM 382 C LEU A 27 3.162 8.548 3.783 1.00 74.23 C ATOM 383 O LEU A 27 2.862 7.356 3.775 1.00 35.30 O ATOM 384 CB LEU A 27 3.950 9.882 1.827 1.00 53.34 C ATOM 385 CG LEU A 27 3.703 10.199 0.347 1.00 4.43 C ATOM 386 CD1 LEU A 27 3.077 11.569 0.174 1.00 1.43 C ATOM 387 CD2 LEU A 27 5.007 10.114 -0.437 1.00 51.54 C ATOM 0 H LEU A 27 2.481 11.538 2.971 1.00 63.41 H new ATOM 0 HA LEU A 27 2.016 8.963 2.006 1.00 54.25 H new ATOM 0 HB2 LEU A 27 4.402 10.758 2.292 1.00 53.34 H new ATOM 0 HB3 LEU A 27 4.682 9.076 1.885 1.00 53.34 H new ATOM 0 HG LEU A 27 3.005 9.458 -0.042 1.00 4.43 H new ATOM 0 HD11 LEU A 27 2.915 11.764 -0.886 1.00 1.43 H new ATOM 0 HD12 LEU A 27 2.123 11.602 0.699 1.00 1.43 H new ATOM 0 HD13 LEU A 27 3.743 12.328 0.584 1.00 1.43 H new ATOM 0 HD21 LEU A 27 4.816 10.341 -1.486 1.00 51.54 H new ATOM 0 HD22 LEU A 27 5.721 10.832 -0.034 1.00 51.54 H new ATOM 0 HD23 LEU A 27 5.417 9.108 -0.353 1.00 51.54 H new ATOM 399 N GLU A 28 3.860 9.120 4.756 1.00 54.23 N ATOM 400 CA GLU A 28 4.374 8.375 5.889 1.00 74.00 C ATOM 401 C GLU A 28 3.251 7.757 6.718 1.00 41.41 C ATOM 402 O GLU A 28 3.318 6.583 7.084 1.00 13.44 O ATOM 403 CB GLU A 28 5.226 9.295 6.758 1.00 34.41 C ATOM 404 CG GLU A 28 6.562 9.660 6.136 1.00 23.34 C ATOM 405 CD GLU A 28 7.409 10.529 7.041 1.00 10.42 C ATOM 406 OE1 GLU A 28 7.438 10.266 8.263 1.00 34.11 O ATOM 407 OE2 GLU A 28 8.046 11.480 6.539 1.00 3.14 O ATOM 0 H GLU A 28 4.084 10.115 4.778 1.00 54.23 H new ATOM 0 HA GLU A 28 4.985 7.557 5.508 1.00 74.00 H new ATOM 0 HB2 GLU A 28 4.668 10.209 6.960 1.00 34.41 H new ATOM 0 HB3 GLU A 28 5.403 8.811 7.719 1.00 34.41 H new ATOM 0 HG2 GLU A 28 7.109 8.748 5.899 1.00 23.34 H new ATOM 0 HG3 GLU A 28 6.390 10.182 5.195 1.00 23.34 H new ATOM 414 N SER A 29 2.222 8.547 7.004 1.00 41.02 N ATOM 415 CA SER A 29 1.106 8.095 7.821 1.00 44.41 C ATOM 416 C SER A 29 0.398 6.907 7.179 1.00 44.44 C ATOM 417 O SER A 29 0.154 5.892 7.834 1.00 23.22 O ATOM 418 CB SER A 29 0.115 9.239 8.037 1.00 51.10 C ATOM 419 OG SER A 29 0.754 10.365 8.617 1.00 4.32 O ATOM 0 H SER A 29 2.139 9.510 6.679 1.00 41.02 H new ATOM 0 HA SER A 29 1.502 7.775 8.785 1.00 44.41 H new ATOM 0 HB2 SER A 29 -0.332 9.522 7.084 1.00 51.10 H new ATOM 0 HB3 SER A 29 -0.696 8.904 8.683 1.00 51.10 H new ATOM 0 HG SER A 29 1.095 10.949 7.908 1.00 4.32 H new ATOM 425 N GLU A 30 0.086 7.026 5.894 1.00 31.22 N ATOM 426 CA GLU A 30 -0.628 5.971 5.198 1.00 51.22 C ATOM 427 C GLU A 30 0.271 4.753 5.023 1.00 34.01 C ATOM 428 O GLU A 30 -0.167 3.619 5.210 1.00 43.21 O ATOM 429 CB GLU A 30 -1.134 6.469 3.847 1.00 44.21 C ATOM 430 CG GLU A 30 -2.376 5.736 3.375 1.00 73.42 C ATOM 431 CD GLU A 30 -2.968 6.319 2.110 1.00 54.45 C ATOM 432 OE1 GLU A 30 -3.176 7.551 2.057 1.00 52.44 O ATOM 433 OE2 GLU A 30 -3.258 5.543 1.175 1.00 21.43 O ATOM 0 H GLU A 30 0.315 7.837 5.319 1.00 31.22 H new ATOM 0 HA GLU A 30 -1.491 5.679 5.797 1.00 51.22 H new ATOM 0 HB2 GLU A 30 -1.352 7.535 3.917 1.00 44.21 H new ATOM 0 HB3 GLU A 30 -0.345 6.353 3.104 1.00 44.21 H new ATOM 0 HG2 GLU A 30 -2.128 4.688 3.203 1.00 73.42 H new ATOM 0 HG3 GLU A 30 -3.127 5.761 4.165 1.00 73.42 H new ATOM 440 N LEU A 31 1.534 4.998 4.688 1.00 4.50 N ATOM 441 CA LEU A 31 2.527 3.934 4.563 1.00 2.32 C ATOM 442 C LEU A 31 2.564 3.098 5.830 1.00 10.53 C ATOM 443 O LEU A 31 2.522 1.869 5.783 1.00 22.52 O ATOM 444 CB LEU A 31 3.915 4.522 4.321 1.00 44.13 C ATOM 445 CG LEU A 31 5.022 3.497 4.057 1.00 2.31 C ATOM 446 CD1 LEU A 31 4.761 2.739 2.763 1.00 23.32 C ATOM 447 CD2 LEU A 31 6.382 4.177 4.015 1.00 63.22 C ATOM 0 H LEU A 31 1.897 5.932 4.497 1.00 4.50 H new ATOM 0 HA LEU A 31 2.245 3.308 3.716 1.00 2.32 H new ATOM 0 HB2 LEU A 31 3.861 5.201 3.470 1.00 44.13 H new ATOM 0 HB3 LEU A 31 4.195 5.120 5.189 1.00 44.13 H new ATOM 0 HG LEU A 31 5.022 2.778 4.877 1.00 2.31 H new ATOM 0 HD11 LEU A 31 5.560 2.017 2.597 1.00 23.32 H new ATOM 0 HD12 LEU A 31 3.808 2.215 2.834 1.00 23.32 H new ATOM 0 HD13 LEU A 31 4.728 3.441 1.930 1.00 23.32 H new ATOM 0 HD21 LEU A 31 7.155 3.432 3.826 1.00 63.22 H new ATOM 0 HD22 LEU A 31 6.392 4.921 3.218 1.00 63.22 H new ATOM 0 HD23 LEU A 31 6.574 4.666 4.970 1.00 63.22 H new ATOM 459 N ALA A 32 2.642 3.788 6.958 1.00 23.22 N ATOM 460 CA ALA A 32 2.655 3.144 8.267 1.00 3.21 C ATOM 461 C ALA A 32 1.438 2.244 8.456 1.00 12.42 C ATOM 462 O ALA A 32 1.543 1.166 9.033 1.00 63.21 O ATOM 463 CB ALA A 32 2.715 4.188 9.371 1.00 62.23 C ATOM 0 H ALA A 32 2.698 4.806 6.994 1.00 23.22 H new ATOM 0 HA ALA A 32 3.546 2.519 8.322 1.00 3.21 H new ATOM 0 HB1 ALA A 32 2.724 3.691 10.341 1.00 62.23 H new ATOM 0 HB2 ALA A 32 3.621 4.784 9.260 1.00 62.23 H new ATOM 0 HB3 ALA A 32 1.843 4.838 9.304 1.00 62.23 H new ATOM 469 N LYS A 33 0.288 2.681 7.949 1.00 4.20 N ATOM 470 CA LYS A 33 -0.938 1.911 8.063 1.00 75.33 C ATOM 471 C LYS A 33 -0.913 0.685 7.156 1.00 55.41 C ATOM 472 O LYS A 33 -1.465 -0.360 7.503 1.00 61.24 O ATOM 473 CB LYS A 33 -2.144 2.789 7.739 1.00 12.14 C ATOM 474 CG LYS A 33 -2.451 3.813 8.819 1.00 3.03 C ATOM 475 CD LYS A 33 -2.713 3.140 10.157 1.00 0.15 C ATOM 476 CE LYS A 33 -3.032 4.154 11.244 1.00 52.24 C ATOM 477 NZ LYS A 33 -4.281 4.910 10.956 1.00 73.52 N ATOM 0 H LYS A 33 0.184 3.567 7.455 1.00 4.20 H new ATOM 0 HA LYS A 33 -1.020 1.561 9.092 1.00 75.33 H new ATOM 0 HB2 LYS A 33 -1.964 3.308 6.797 1.00 12.14 H new ATOM 0 HB3 LYS A 33 -3.018 2.154 7.592 1.00 12.14 H new ATOM 0 HG2 LYS A 33 -1.615 4.506 8.915 1.00 3.03 H new ATOM 0 HG3 LYS A 33 -3.321 4.402 8.529 1.00 3.03 H new ATOM 0 HD2 LYS A 33 -3.543 2.441 10.056 1.00 0.15 H new ATOM 0 HD3 LYS A 33 -1.839 2.557 10.448 1.00 0.15 H new ATOM 0 HE2 LYS A 33 -3.132 3.640 12.200 1.00 52.24 H new ATOM 0 HE3 LYS A 33 -2.201 4.852 11.343 1.00 52.24 H new ATOM 0 HZ1 LYS A 33 -4.571 5.438 11.804 1.00 73.52 H new ATOM 0 HZ2 LYS A 33 -4.112 5.576 10.175 1.00 73.52 H new ATOM 0 HZ3 LYS A 33 -5.035 4.246 10.687 1.00 73.52 H new ATOM 491 N TYR A 34 -0.272 0.814 6.002 1.00 33.22 N ATOM 492 CA TYR A 34 -0.100 -0.318 5.092 1.00 23.12 C ATOM 493 C TYR A 34 0.842 -1.343 5.715 1.00 52.44 C ATOM 494 O TYR A 34 0.597 -2.543 5.646 1.00 5.12 O ATOM 495 CB TYR A 34 0.451 0.140 3.734 1.00 75.33 C ATOM 496 CG TYR A 34 -0.544 0.869 2.852 1.00 52.42 C ATOM 497 CD1 TYR A 34 -1.454 1.774 3.381 1.00 23.52 C ATOM 498 CD2 TYR A 34 -0.554 0.664 1.477 1.00 12.44 C ATOM 499 CE1 TYR A 34 -2.340 2.455 2.571 1.00 34.25 C ATOM 500 CE2 TYR A 34 -1.443 1.339 0.658 1.00 72.34 C ATOM 501 CZ TYR A 34 -2.333 2.236 1.212 1.00 64.41 C ATOM 502 OH TYR A 34 -3.211 2.924 0.405 1.00 32.11 O ATOM 0 H TYR A 34 0.138 1.688 5.672 1.00 33.22 H new ATOM 0 HA TYR A 34 -1.076 -0.773 4.926 1.00 23.12 H new ATOM 0 HB2 TYR A 34 1.307 0.793 3.907 1.00 75.33 H new ATOM 0 HB3 TYR A 34 0.820 -0.733 3.195 1.00 75.33 H new ATOM 0 HD1 TYR A 34 -1.469 1.949 4.447 1.00 23.52 H new ATOM 0 HD2 TYR A 34 0.144 -0.034 1.040 1.00 12.44 H new ATOM 0 HE1 TYR A 34 -3.037 3.158 3.002 1.00 34.25 H new ATOM 0 HE2 TYR A 34 -1.440 1.165 -0.408 1.00 72.34 H new ATOM 0 HH TYR A 34 -3.235 3.866 0.676 1.00 32.11 H new ATOM 512 N ILE A 35 1.916 -0.856 6.331 1.00 75.14 N ATOM 513 CA ILE A 35 2.860 -1.721 7.031 1.00 3.01 C ATOM 514 C ILE A 35 2.180 -2.378 8.230 1.00 64.23 C ATOM 515 O ILE A 35 2.381 -3.564 8.504 1.00 11.13 O ATOM 516 CB ILE A 35 4.103 -0.935 7.509 1.00 5.31 C ATOM 517 CG1 ILE A 35 4.821 -0.299 6.314 1.00 3.53 C ATOM 518 CG2 ILE A 35 5.055 -1.849 8.275 1.00 51.13 C ATOM 519 CD1 ILE A 35 5.994 0.574 6.706 1.00 3.21 C ATOM 0 H ILE A 35 2.154 0.135 6.359 1.00 75.14 H new ATOM 0 HA ILE A 35 3.189 -2.487 6.329 1.00 3.01 H new ATOM 0 HB ILE A 35 3.773 -0.143 8.181 1.00 5.31 H new ATOM 0 HG12 ILE A 35 5.173 -1.089 5.650 1.00 3.53 H new ATOM 0 HG13 ILE A 35 4.107 0.299 5.748 1.00 3.53 H new ATOM 0 HG21 ILE A 35 5.923 -1.277 8.603 1.00 51.13 H new ATOM 0 HG22 ILE A 35 4.543 -2.261 9.144 1.00 51.13 H new ATOM 0 HG23 ILE A 35 5.380 -2.662 7.626 1.00 51.13 H new ATOM 0 HD11 ILE A 35 6.453 0.990 5.809 1.00 3.21 H new ATOM 0 HD12 ILE A 35 5.646 1.385 7.346 1.00 3.21 H new ATOM 0 HD13 ILE A 35 6.728 -0.024 7.246 1.00 3.21 H new ATOM 531 N GLU A 36 1.370 -1.593 8.932 1.00 71.41 N ATOM 532 CA GLU A 36 0.584 -2.077 10.049 1.00 42.00 C ATOM 533 C GLU A 36 -0.316 -3.216 9.600 1.00 64.30 C ATOM 534 O GLU A 36 -0.329 -4.289 10.206 1.00 0.24 O ATOM 535 CB GLU A 36 -0.239 -0.908 10.593 1.00 21.24 C ATOM 536 CG GLU A 36 -0.770 -1.085 12.001 1.00 45.42 C ATOM 537 CD GLU A 36 -2.036 -1.919 12.081 1.00 61.41 C ATOM 538 OE1 GLU A 36 -2.918 -1.765 11.207 1.00 45.12 O ATOM 539 OE2 GLU A 36 -2.167 -2.708 13.039 1.00 10.22 O ATOM 0 H GLU A 36 1.243 -0.600 8.737 1.00 71.41 H new ATOM 0 HA GLU A 36 1.234 -2.462 10.835 1.00 42.00 H new ATOM 0 HB2 GLU A 36 0.377 -0.009 10.566 1.00 21.24 H new ATOM 0 HB3 GLU A 36 -1.082 -0.737 9.924 1.00 21.24 H new ATOM 0 HG2 GLU A 36 0.001 -1.553 12.613 1.00 45.42 H new ATOM 0 HG3 GLU A 36 -0.966 -0.103 12.431 1.00 45.42 H new ATOM 546 N LEU A 37 -1.047 -2.974 8.521 1.00 33.25 N ATOM 547 CA LEU A 37 -1.918 -3.975 7.931 1.00 71.23 C ATOM 548 C LEU A 37 -1.101 -5.194 7.497 1.00 60.22 C ATOM 549 O LEU A 37 -1.528 -6.335 7.666 1.00 24.23 O ATOM 550 CB LEU A 37 -2.643 -3.364 6.726 1.00 63.50 C ATOM 551 CG LEU A 37 -4.082 -3.831 6.505 1.00 61.12 C ATOM 552 CD1 LEU A 37 -4.710 -3.077 5.344 1.00 61.44 C ATOM 553 CD2 LEU A 37 -4.137 -5.324 6.252 1.00 72.31 C ATOM 0 H LEU A 37 -1.052 -2.079 8.032 1.00 33.25 H new ATOM 0 HA LEU A 37 -2.653 -4.299 8.668 1.00 71.23 H new ATOM 0 HB2 LEU A 37 -2.647 -2.280 6.840 1.00 63.50 H new ATOM 0 HB3 LEU A 37 -2.067 -3.588 5.828 1.00 63.50 H new ATOM 0 HG LEU A 37 -4.649 -3.619 7.411 1.00 61.12 H new ATOM 0 HD11 LEU A 37 -5.734 -3.420 5.199 1.00 61.44 H new ATOM 0 HD12 LEU A 37 -4.713 -2.009 5.563 1.00 61.44 H new ATOM 0 HD13 LEU A 37 -4.134 -3.260 4.437 1.00 61.44 H new ATOM 0 HD21 LEU A 37 -5.172 -5.629 6.098 1.00 72.31 H new ATOM 0 HD22 LEU A 37 -3.552 -5.564 5.364 1.00 72.31 H new ATOM 0 HD23 LEU A 37 -3.726 -5.854 7.111 1.00 72.31 H new ATOM 565 N ALA A 38 0.096 -4.936 6.982 1.00 0.50 N ATOM 566 CA ALA A 38 0.944 -5.990 6.437 1.00 14.11 C ATOM 567 C ALA A 38 1.418 -6.929 7.534 1.00 71.34 C ATOM 568 O ALA A 38 1.285 -8.145 7.418 1.00 45.51 O ATOM 569 CB ALA A 38 2.134 -5.393 5.698 1.00 10.34 C ATOM 0 H ALA A 38 0.502 -4.002 6.930 1.00 0.50 H new ATOM 0 HA ALA A 38 0.350 -6.567 5.729 1.00 14.11 H new ATOM 0 HB1 ALA A 38 2.754 -6.196 5.299 1.00 10.34 H new ATOM 0 HB2 ALA A 38 1.778 -4.768 4.879 1.00 10.34 H new ATOM 0 HB3 ALA A 38 2.723 -4.787 6.386 1.00 10.34 H new ATOM 575 N LYS A 39 1.949 -6.357 8.609 1.00 15.23 N ATOM 576 CA LYS A 39 2.462 -7.145 9.719 1.00 10.52 C ATOM 577 C LYS A 39 1.334 -7.842 10.472 1.00 64.14 C ATOM 578 O LYS A 39 1.557 -8.844 11.154 1.00 33.52 O ATOM 579 CB LYS A 39 3.290 -6.273 10.663 1.00 34.01 C ATOM 580 CG LYS A 39 4.640 -5.878 10.076 1.00 14.31 C ATOM 581 CD LYS A 39 5.454 -5.032 11.042 1.00 13.25 C ATOM 582 CE LYS A 39 6.876 -4.817 10.537 1.00 1.31 C ATOM 583 NZ LYS A 39 7.611 -6.103 10.391 1.00 64.44 N ATOM 0 H LYS A 39 2.035 -5.348 8.734 1.00 15.23 H new ATOM 0 HA LYS A 39 3.112 -7.918 9.308 1.00 10.52 H new ATOM 0 HB2 LYS A 39 2.727 -5.371 10.904 1.00 34.01 H new ATOM 0 HB3 LYS A 39 3.449 -6.809 11.599 1.00 34.01 H new ATOM 0 HG2 LYS A 39 5.201 -6.777 9.819 1.00 14.31 H new ATOM 0 HG3 LYS A 39 4.485 -5.324 9.150 1.00 14.31 H new ATOM 0 HD2 LYS A 39 4.967 -4.067 11.181 1.00 13.25 H new ATOM 0 HD3 LYS A 39 5.483 -5.518 12.017 1.00 13.25 H new ATOM 0 HE2 LYS A 39 6.847 -4.304 9.576 1.00 1.31 H new ATOM 0 HE3 LYS A 39 7.413 -4.168 11.229 1.00 1.31 H new ATOM 0 HZ1 LYS A 39 8.634 -5.917 10.364 1.00 64.44 H new ATOM 0 HZ2 LYS A 39 7.393 -6.721 11.198 1.00 64.44 H new ATOM 0 HZ3 LYS A 39 7.320 -6.571 9.509 1.00 64.44 H new ATOM 597 N SER A 40 0.122 -7.313 10.346 1.00 25.30 N ATOM 598 CA SER A 40 -1.050 -7.947 10.922 1.00 34.15 C ATOM 599 C SER A 40 -1.379 -9.240 10.176 1.00 52.32 C ATOM 600 O SER A 40 -1.929 -10.178 10.752 1.00 3.33 O ATOM 601 CB SER A 40 -2.238 -6.992 10.878 1.00 33.10 C ATOM 602 OG SER A 40 -1.971 -5.818 11.626 1.00 43.22 O ATOM 0 H SER A 40 -0.071 -6.444 9.848 1.00 25.30 H new ATOM 0 HA SER A 40 -0.837 -8.194 11.962 1.00 34.15 H new ATOM 0 HB2 SER A 40 -2.459 -6.727 9.844 1.00 33.10 H new ATOM 0 HB3 SER A 40 -3.123 -7.488 11.276 1.00 33.10 H new ATOM 0 HG SER A 40 -1.555 -5.147 11.045 1.00 43.22 H new ATOM 608 N VAL A 41 -1.039 -9.279 8.892 1.00 1.44 N ATOM 609 CA VAL A 41 -1.227 -10.478 8.088 1.00 41.52 C ATOM 610 C VAL A 41 -0.004 -11.384 8.205 1.00 22.41 C ATOM 611 O VAL A 41 -0.122 -12.569 8.521 1.00 25.32 O ATOM 612 CB VAL A 41 -1.471 -10.137 6.599 1.00 53.02 C ATOM 613 CG1 VAL A 41 -1.664 -11.404 5.779 1.00 54.12 C ATOM 614 CG2 VAL A 41 -2.673 -9.213 6.444 1.00 75.40 C ATOM 0 H VAL A 41 -0.631 -8.492 8.387 1.00 1.44 H new ATOM 0 HA VAL A 41 -2.109 -10.992 8.469 1.00 41.52 H new ATOM 0 HB VAL A 41 -0.589 -9.617 6.224 1.00 53.02 H new ATOM 0 HG11 VAL A 41 -1.834 -11.140 4.735 1.00 54.12 H new ATOM 0 HG12 VAL A 41 -0.772 -12.026 5.855 1.00 54.12 H new ATOM 0 HG13 VAL A 41 -2.524 -11.955 6.158 1.00 54.12 H new ATOM 0 HG21 VAL A 41 -2.825 -8.987 5.388 1.00 75.40 H new ATOM 0 HG22 VAL A 41 -3.562 -9.703 6.842 1.00 75.40 H new ATOM 0 HG23 VAL A 41 -2.493 -8.287 6.991 1.00 75.40 H new ATOM 624 N CYS A 42 1.166 -10.809 7.973 1.00 35.51 N ATOM 625 CA CYS A 42 2.408 -11.558 7.985 1.00 72.20 C ATOM 626 C CYS A 42 3.506 -10.756 8.674 1.00 33.45 C ATOM 627 O CYS A 42 3.792 -9.620 8.298 1.00 23.42 O ATOM 628 CB CYS A 42 2.823 -11.891 6.555 1.00 41.44 C ATOM 629 SG CYS A 42 4.294 -12.929 6.421 1.00 52.13 S ATOM 0 H CYS A 42 1.279 -9.815 7.772 1.00 35.51 H new ATOM 0 HA CYS A 42 2.255 -12.484 8.539 1.00 72.20 H new ATOM 0 HB2 CYS A 42 1.993 -12.394 6.058 1.00 41.44 H new ATOM 0 HB3 CYS A 42 3.001 -10.960 6.016 1.00 41.44 H new ATOM 0 HG CYS A 42 3.946 -14.181 6.456 1.00 52.13 H new ATOM 635 N ALA A 43 4.112 -11.351 9.687 1.00 23.55 N ATOM 636 CA ALA A 43 5.188 -10.701 10.418 1.00 15.24 C ATOM 637 C ALA A 43 6.497 -10.781 9.642 1.00 61.23 C ATOM 638 O ALA A 43 7.385 -9.945 9.816 1.00 40.14 O ATOM 639 CB ALA A 43 5.351 -11.329 11.792 1.00 32.23 C ATOM 0 H ALA A 43 3.877 -12.285 10.023 1.00 23.55 H new ATOM 0 HA ALA A 43 4.927 -9.650 10.542 1.00 15.24 H new ATOM 0 HB1 ALA A 43 6.160 -10.831 12.326 1.00 32.23 H new ATOM 0 HB2 ALA A 43 4.424 -11.219 12.354 1.00 32.23 H new ATOM 0 HB3 ALA A 43 5.586 -12.388 11.683 1.00 32.23 H new ATOM 645 N GLY A 44 6.602 -11.779 8.774 1.00 72.41 N ATOM 646 CA GLY A 44 7.812 -11.968 7.997 1.00 1.41 C ATOM 647 C GLY A 44 7.700 -11.377 6.609 1.00 43.11 C ATOM 648 O GLY A 44 8.328 -11.860 5.666 1.00 31.33 O ATOM 0 H GLY A 44 5.868 -12.464 8.594 1.00 72.41 H new ATOM 0 HA2 GLY A 44 8.652 -11.509 8.519 1.00 1.41 H new ATOM 0 HA3 GLY A 44 8.029 -13.033 7.920 1.00 1.41 H new ATOM 652 N VAL A 45 6.894 -10.331 6.483 1.00 51.43 N ATOM 653 CA VAL A 45 6.706 -9.667 5.205 1.00 74.50 C ATOM 654 C VAL A 45 7.971 -8.909 4.797 1.00 44.20 C ATOM 655 O VAL A 45 8.540 -8.146 5.582 1.00 31.32 O ATOM 656 CB VAL A 45 5.486 -8.708 5.232 1.00 50.10 C ATOM 657 CG1 VAL A 45 5.614 -7.678 6.344 1.00 53.51 C ATOM 658 CG2 VAL A 45 5.304 -8.020 3.886 1.00 43.51 C ATOM 0 H VAL A 45 6.361 -9.926 7.252 1.00 51.43 H new ATOM 0 HA VAL A 45 6.506 -10.439 4.463 1.00 74.50 H new ATOM 0 HB VAL A 45 4.600 -9.311 5.433 1.00 50.10 H new ATOM 0 HG11 VAL A 45 4.743 -7.022 6.335 1.00 53.51 H new ATOM 0 HG12 VAL A 45 5.675 -8.187 7.306 1.00 53.51 H new ATOM 0 HG13 VAL A 45 6.516 -7.086 6.189 1.00 53.51 H new ATOM 0 HG21 VAL A 45 4.443 -7.354 3.932 1.00 43.51 H new ATOM 0 HG22 VAL A 45 6.197 -7.442 3.649 1.00 43.51 H new ATOM 0 HG23 VAL A 45 5.141 -8.771 3.113 1.00 43.51 H new ATOM 668 N GLU A 46 8.425 -9.160 3.582 1.00 1.10 N ATOM 669 CA GLU A 46 9.580 -8.471 3.032 1.00 23.33 C ATOM 670 C GLU A 46 9.109 -7.348 2.129 1.00 4.03 C ATOM 671 O GLU A 46 8.328 -7.580 1.211 1.00 55.31 O ATOM 672 CB GLU A 46 10.454 -9.433 2.225 1.00 61.43 C ATOM 673 CG GLU A 46 11.028 -10.581 3.037 1.00 73.55 C ATOM 674 CD GLU A 46 11.766 -11.596 2.185 1.00 71.43 C ATOM 675 OE1 GLU A 46 12.919 -11.323 1.778 1.00 51.02 O ATOM 676 OE2 GLU A 46 11.208 -12.688 1.936 1.00 60.22 O ATOM 0 H GLU A 46 8.006 -9.843 2.951 1.00 1.10 H new ATOM 0 HA GLU A 46 10.171 -8.070 3.856 1.00 23.33 H new ATOM 0 HB2 GLU A 46 9.864 -9.842 1.405 1.00 61.43 H new ATOM 0 HB3 GLU A 46 11.275 -8.872 1.778 1.00 61.43 H new ATOM 0 HG2 GLU A 46 11.709 -10.182 3.789 1.00 73.55 H new ATOM 0 HG3 GLU A 46 10.220 -11.081 3.571 1.00 73.55 H new ATOM 683 N TYR A 47 9.566 -6.138 2.375 1.00 63.42 N ATOM 684 CA TYR A 47 9.138 -5.020 1.558 1.00 41.25 C ATOM 685 C TYR A 47 10.298 -4.121 1.193 1.00 13.34 C ATOM 686 O TYR A 47 11.315 -4.066 1.886 1.00 23.04 O ATOM 687 CB TYR A 47 8.039 -4.201 2.252 1.00 5.41 C ATOM 688 CG TYR A 47 8.506 -3.366 3.431 1.00 11.33 C ATOM 689 CD1 TYR A 47 8.980 -2.073 3.237 1.00 42.43 C ATOM 690 CD2 TYR A 47 8.465 -3.861 4.730 1.00 55.34 C ATOM 691 CE1 TYR A 47 9.401 -1.299 4.299 1.00 71.21 C ATOM 692 CE2 TYR A 47 8.885 -3.088 5.798 1.00 61.45 C ATOM 693 CZ TYR A 47 9.353 -1.810 5.577 1.00 44.52 C ATOM 694 OH TYR A 47 9.777 -1.042 6.636 1.00 11.45 O ATOM 0 H TYR A 47 10.222 -5.904 3.120 1.00 63.42 H new ATOM 0 HA TYR A 47 8.727 -5.442 0.641 1.00 41.25 H new ATOM 0 HB2 TYR A 47 7.581 -3.539 1.517 1.00 5.41 H new ATOM 0 HB3 TYR A 47 7.261 -4.883 2.595 1.00 5.41 H new ATOM 0 HD1 TYR A 47 9.019 -1.667 2.237 1.00 42.43 H new ATOM 0 HD2 TYR A 47 8.101 -4.862 4.908 1.00 55.34 H new ATOM 0 HE1 TYR A 47 9.766 -0.297 4.129 1.00 71.21 H new ATOM 0 HE2 TYR A 47 8.846 -3.485 6.802 1.00 61.45 H new ATOM 0 HH TYR A 47 9.677 -1.549 7.469 1.00 11.45 H new ATOM 704 N ASN A 48 10.125 -3.427 0.088 1.00 72.52 N ATOM 705 CA ASN A 48 11.055 -2.393 -0.345 1.00 71.32 C ATOM 706 C ASN A 48 10.285 -1.100 -0.490 1.00 44.31 C ATOM 707 O ASN A 48 9.057 -1.110 -0.498 1.00 64.42 O ATOM 708 CB ASN A 48 11.725 -2.727 -1.685 1.00 74.21 C ATOM 709 CG ASN A 48 12.530 -4.014 -1.674 1.00 22.33 C ATOM 710 OD1 ASN A 48 12.617 -4.708 -2.688 1.00 53.54 O ATOM 711 ND2 ASN A 48 13.144 -4.332 -0.547 1.00 51.44 N ATOM 0 H ASN A 48 9.334 -3.561 -0.541 1.00 72.52 H new ATOM 0 HA ASN A 48 11.845 -2.313 0.401 1.00 71.32 H new ATOM 0 HB2 ASN A 48 10.957 -2.799 -2.455 1.00 74.21 H new ATOM 0 HB3 ASN A 48 12.381 -1.903 -1.966 1.00 74.21 H new ATOM 0 HD21 ASN A 48 13.713 -5.177 -0.497 1.00 51.44 H new ATOM 0 HD22 ASN A 48 13.048 -3.732 0.273 1.00 51.44 H new ATOM 718 N VAL A 49 10.993 0.001 -0.630 1.00 55.35 N ATOM 719 CA VAL A 49 10.350 1.297 -0.739 1.00 24.34 C ATOM 720 C VAL A 49 11.264 2.286 -1.457 1.00 41.13 C ATOM 721 O VAL A 49 12.491 2.203 -1.345 1.00 72.12 O ATOM 722 CB VAL A 49 9.947 1.845 0.656 1.00 52.32 C ATOM 723 CG1 VAL A 49 11.169 2.075 1.532 1.00 3.50 C ATOM 724 CG2 VAL A 49 9.124 3.120 0.529 1.00 20.40 C ATOM 0 H VAL A 49 12.012 0.027 -0.671 1.00 55.35 H new ATOM 0 HA VAL A 49 9.439 1.171 -1.325 1.00 24.34 H new ATOM 0 HB VAL A 49 9.326 1.090 1.139 1.00 52.32 H new ATOM 0 HG11 VAL A 49 10.854 2.459 2.502 1.00 3.50 H new ATOM 0 HG12 VAL A 49 11.701 1.133 1.669 1.00 3.50 H new ATOM 0 HG13 VAL A 49 11.829 2.798 1.053 1.00 3.50 H new ATOM 0 HG21 VAL A 49 8.856 3.481 1.522 1.00 20.40 H new ATOM 0 HG22 VAL A 49 9.709 3.881 0.012 1.00 20.40 H new ATOM 0 HG23 VAL A 49 8.217 2.912 -0.038 1.00 20.40 H new ATOM 734 N SER A 50 10.661 3.189 -2.220 1.00 40.04 N ATOM 735 CA SER A 50 11.398 4.234 -2.912 1.00 12.44 C ATOM 736 C SER A 50 11.824 5.329 -1.938 1.00 65.52 C ATOM 737 O SER A 50 11.757 5.152 -0.719 1.00 24.50 O ATOM 738 CB SER A 50 10.536 4.823 -4.030 1.00 12.42 C ATOM 739 OG SER A 50 9.237 5.151 -3.558 1.00 13.14 O ATOM 0 H SER A 50 9.653 3.216 -2.375 1.00 40.04 H new ATOM 0 HA SER A 50 12.297 3.798 -3.347 1.00 12.44 H new ATOM 0 HB2 SER A 50 11.016 5.715 -4.431 1.00 12.42 H new ATOM 0 HB3 SER A 50 10.459 4.107 -4.849 1.00 12.42 H new ATOM 0 HG SER A 50 8.886 5.910 -4.068 1.00 13.14 H new ATOM 745 N GLU A 51 12.256 6.456 -2.473 1.00 32.11 N ATOM 746 CA GLU A 51 12.698 7.563 -1.646 1.00 45.11 C ATOM 747 C GLU A 51 11.546 8.526 -1.371 1.00 5.24 C ATOM 748 O GLU A 51 10.796 8.898 -2.277 1.00 62.41 O ATOM 749 CB GLU A 51 13.868 8.311 -2.305 1.00 53.43 C ATOM 750 CG GLU A 51 13.523 8.991 -3.628 1.00 63.10 C ATOM 751 CD GLU A 51 13.518 8.048 -4.817 1.00 12.44 C ATOM 752 OE1 GLU A 51 12.543 7.285 -4.980 1.00 0.33 O ATOM 753 OE2 GLU A 51 14.485 8.078 -5.607 1.00 20.10 O ATOM 0 H GLU A 51 12.310 6.629 -3.477 1.00 32.11 H new ATOM 0 HA GLU A 51 13.044 7.152 -0.697 1.00 45.11 H new ATOM 0 HB2 GLU A 51 14.238 9.065 -1.610 1.00 53.43 H new ATOM 0 HB3 GLU A 51 14.683 7.607 -2.475 1.00 53.43 H new ATOM 0 HG2 GLU A 51 12.541 9.457 -3.541 1.00 63.10 H new ATOM 0 HG3 GLU A 51 14.240 9.791 -3.813 1.00 63.10 H new ATOM 760 N LEU A 52 11.389 8.898 -0.112 1.00 2.14 N ATOM 761 CA LEU A 52 10.428 9.915 0.266 1.00 4.12 C ATOM 762 C LEU A 52 11.101 11.274 0.189 1.00 4.41 C ATOM 763 O LEU A 52 12.078 11.532 0.892 1.00 74.23 O ATOM 764 CB LEU A 52 9.878 9.673 1.678 1.00 1.54 C ATOM 765 CG LEU A 52 8.962 8.453 1.839 1.00 53.43 C ATOM 766 CD1 LEU A 52 9.763 7.161 1.923 1.00 15.12 C ATOM 767 CD2 LEU A 52 8.075 8.611 3.063 1.00 41.44 C ATOM 0 H LEU A 52 11.918 8.508 0.668 1.00 2.14 H new ATOM 0 HA LEU A 52 9.583 9.875 -0.422 1.00 4.12 H new ATOM 0 HB2 LEU A 52 10.720 9.564 2.361 1.00 1.54 H new ATOM 0 HB3 LEU A 52 9.327 10.561 1.990 1.00 1.54 H new ATOM 0 HG LEU A 52 8.329 8.394 0.953 1.00 53.43 H new ATOM 0 HD11 LEU A 52 9.082 6.317 2.037 1.00 15.12 H new ATOM 0 HD12 LEU A 52 10.347 7.035 1.012 1.00 15.12 H new ATOM 0 HD13 LEU A 52 10.434 7.204 2.781 1.00 15.12 H new ATOM 0 HD21 LEU A 52 7.432 7.736 3.162 1.00 41.44 H new ATOM 0 HD22 LEU A 52 8.697 8.706 3.953 1.00 41.44 H new ATOM 0 HD23 LEU A 52 7.459 9.504 2.953 1.00 41.44 H new ATOM 779 N THR A 53 10.586 12.134 -0.670 1.00 43.03 N ATOM 780 CA THR A 53 11.233 13.398 -0.957 1.00 42.21 C ATOM 781 C THR A 53 10.258 14.565 -0.850 1.00 5.32 C ATOM 782 O THR A 53 9.136 14.419 -0.362 1.00 1.52 O ATOM 783 CB THR A 53 11.853 13.381 -2.370 1.00 74.24 C ATOM 784 OG1 THR A 53 10.878 12.942 -3.325 1.00 71.14 O ATOM 785 CG2 THR A 53 13.071 12.470 -2.430 1.00 20.42 C ATOM 0 H THR A 53 9.718 11.978 -1.182 1.00 43.03 H new ATOM 0 HA THR A 53 12.019 13.533 -0.214 1.00 42.21 H new ATOM 0 HB THR A 53 12.173 14.395 -2.609 1.00 74.24 H new ATOM 0 HG1 THR A 53 11.277 12.935 -4.220 1.00 71.14 H new ATOM 0 HG21 THR A 53 13.484 12.481 -3.439 1.00 20.42 H new ATOM 0 HG22 THR A 53 13.824 12.823 -1.726 1.00 20.42 H new ATOM 0 HG23 THR A 53 12.778 11.453 -2.168 1.00 20.42 H new ATOM 793 N GLU A 54 10.711 15.724 -1.293 1.00 32.43 N ATOM 794 CA GLU A 54 9.907 16.929 -1.306 1.00 53.42 C ATOM 795 C GLU A 54 8.835 16.869 -2.388 1.00 64.34 C ATOM 796 O GLU A 54 7.741 17.415 -2.236 1.00 22.24 O ATOM 797 CB GLU A 54 10.827 18.120 -1.552 1.00 73.23 C ATOM 798 CG GLU A 54 11.575 18.052 -2.878 1.00 24.51 C ATOM 799 CD GLU A 54 12.615 19.141 -3.023 1.00 22.14 C ATOM 800 OE1 GLU A 54 12.294 20.315 -2.759 1.00 52.02 O ATOM 801 OE2 GLU A 54 13.761 18.826 -3.402 1.00 31.45 O ATOM 0 H GLU A 54 11.655 15.855 -1.656 1.00 32.43 H new ATOM 0 HA GLU A 54 9.400 17.029 -0.346 1.00 53.42 H new ATOM 0 HB2 GLU A 54 10.237 19.036 -1.525 1.00 73.23 H new ATOM 0 HB3 GLU A 54 11.551 18.183 -0.739 1.00 73.23 H new ATOM 0 HG2 GLU A 54 12.059 17.080 -2.967 1.00 24.51 H new ATOM 0 HG3 GLU A 54 10.860 18.128 -3.697 1.00 24.51 H new ATOM 808 N GLU A 55 9.161 16.201 -3.481 1.00 74.34 N ATOM 809 CA GLU A 55 8.291 16.177 -4.645 1.00 75.23 C ATOM 810 C GLU A 55 7.520 14.868 -4.766 1.00 62.41 C ATOM 811 O GLU A 55 6.731 14.699 -5.695 1.00 45.02 O ATOM 812 CB GLU A 55 9.113 16.402 -5.913 1.00 42.45 C ATOM 813 CG GLU A 55 10.211 15.369 -6.123 1.00 11.41 C ATOM 814 CD GLU A 55 10.932 15.557 -7.438 1.00 71.42 C ATOM 815 OE1 GLU A 55 11.837 16.410 -7.506 1.00 52.30 O ATOM 816 OE2 GLU A 55 10.592 14.859 -8.417 1.00 63.31 O ATOM 0 H GLU A 55 10.023 15.667 -3.587 1.00 74.34 H new ATOM 0 HA GLU A 55 7.563 16.979 -4.520 1.00 75.23 H new ATOM 0 HB2 GLU A 55 8.446 16.390 -6.775 1.00 42.45 H new ATOM 0 HB3 GLU A 55 9.563 17.394 -5.872 1.00 42.45 H new ATOM 0 HG2 GLU A 55 10.929 15.434 -5.305 1.00 11.41 H new ATOM 0 HG3 GLU A 55 9.778 14.369 -6.088 1.00 11.41 H new ATOM 823 N SER A 56 7.738 13.940 -3.846 1.00 31.21 N ATOM 824 CA SER A 56 7.076 12.652 -3.929 1.00 15.11 C ATOM 825 C SER A 56 5.610 12.753 -3.533 1.00 21.12 C ATOM 826 O SER A 56 5.274 12.883 -2.356 1.00 71.45 O ATOM 827 CB SER A 56 7.787 11.615 -3.064 1.00 43.11 C ATOM 828 OG SER A 56 8.065 12.126 -1.774 1.00 4.52 O ATOM 0 H SER A 56 8.359 14.054 -3.045 1.00 31.21 H new ATOM 0 HA SER A 56 7.124 12.329 -4.969 1.00 15.11 H new ATOM 0 HB2 SER A 56 7.167 10.723 -2.978 1.00 43.11 H new ATOM 0 HB3 SER A 56 8.717 11.312 -3.546 1.00 43.11 H new ATOM 0 HG SER A 56 7.273 12.586 -1.427 1.00 4.52 H new ATOM 834 N LYS A 57 4.752 12.726 -4.537 1.00 73.54 N ATOM 835 CA LYS A 57 3.321 12.603 -4.327 1.00 43.13 C ATOM 836 C LYS A 57 2.958 11.130 -4.338 1.00 51.04 C ATOM 837 O LYS A 57 1.829 10.740 -4.030 1.00 23.12 O ATOM 838 CB LYS A 57 2.561 13.343 -5.429 1.00 32.54 C ATOM 839 CG LYS A 57 2.590 14.854 -5.285 1.00 22.24 C ATOM 840 CD LYS A 57 1.624 15.315 -4.210 1.00 64.22 C ATOM 841 CE LYS A 57 1.664 16.819 -4.021 1.00 24.13 C ATOM 842 NZ LYS A 57 2.887 17.260 -3.296 1.00 73.35 N ATOM 0 H LYS A 57 5.026 12.788 -5.517 1.00 73.54 H new ATOM 0 HA LYS A 57 3.047 13.045 -3.369 1.00 43.13 H new ATOM 0 HB2 LYS A 57 2.985 13.071 -6.396 1.00 32.54 H new ATOM 0 HB3 LYS A 57 1.524 13.007 -5.431 1.00 32.54 H new ATOM 0 HG2 LYS A 57 3.600 15.180 -5.036 1.00 22.24 H new ATOM 0 HG3 LYS A 57 2.330 15.319 -6.236 1.00 22.24 H new ATOM 0 HD2 LYS A 57 0.612 15.009 -4.476 1.00 64.22 H new ATOM 0 HD3 LYS A 57 1.868 14.824 -3.268 1.00 64.22 H new ATOM 0 HE2 LYS A 57 1.624 17.307 -4.995 1.00 24.13 H new ATOM 0 HE3 LYS A 57 0.780 17.138 -3.468 1.00 24.13 H new ATOM 0 HZ1 LYS A 57 2.978 18.294 -3.365 1.00 73.35 H new ATOM 0 HZ2 LYS A 57 2.816 16.985 -2.296 1.00 73.35 H new ATOM 0 HZ3 LYS A 57 3.723 16.810 -3.720 1.00 73.35 H new ATOM 856 N GLU A 58 3.945 10.321 -4.696 1.00 24.54 N ATOM 857 CA GLU A 58 3.773 8.891 -4.812 1.00 64.43 C ATOM 858 C GLU A 58 5.029 8.167 -4.343 1.00 13.44 C ATOM 859 O GLU A 58 6.151 8.592 -4.629 1.00 31.23 O ATOM 860 CB GLU A 58 3.452 8.501 -6.264 1.00 41.31 C ATOM 861 CG GLU A 58 4.539 8.847 -7.282 1.00 51.24 C ATOM 862 CD GLU A 58 4.685 10.339 -7.548 1.00 52.02 C ATOM 863 OE1 GLU A 58 3.898 10.882 -8.349 1.00 62.45 O ATOM 864 OE2 GLU A 58 5.600 10.969 -6.970 1.00 61.52 O ATOM 0 H GLU A 58 4.888 10.645 -4.913 1.00 24.54 H new ATOM 0 HA GLU A 58 2.937 8.594 -4.179 1.00 64.43 H new ATOM 0 HB2 GLU A 58 3.267 7.428 -6.303 1.00 41.31 H new ATOM 0 HB3 GLU A 58 2.527 8.995 -6.561 1.00 41.31 H new ATOM 0 HG2 GLU A 58 5.493 8.457 -6.927 1.00 51.24 H new ATOM 0 HG3 GLU A 58 4.317 8.341 -8.221 1.00 51.24 H new ATOM 871 N LEU A 59 4.838 7.085 -3.614 1.00 25.12 N ATOM 872 CA LEU A 59 5.953 6.261 -3.182 1.00 0.22 C ATOM 873 C LEU A 59 5.677 4.804 -3.505 1.00 11.33 C ATOM 874 O LEU A 59 4.549 4.327 -3.366 1.00 70.01 O ATOM 875 CB LEU A 59 6.262 6.431 -1.687 1.00 30.40 C ATOM 876 CG LEU A 59 5.243 5.852 -0.694 1.00 64.43 C ATOM 877 CD1 LEU A 59 5.853 5.790 0.696 1.00 3.42 C ATOM 878 CD2 LEU A 59 3.978 6.691 -0.657 1.00 24.43 C ATOM 0 H LEU A 59 3.923 6.755 -3.308 1.00 25.12 H new ATOM 0 HA LEU A 59 6.836 6.594 -3.728 1.00 0.22 H new ATOM 0 HB2 LEU A 59 7.229 5.971 -1.487 1.00 30.40 H new ATOM 0 HB3 LEU A 59 6.367 7.496 -1.482 1.00 30.40 H new ATOM 0 HG LEU A 59 4.981 4.847 -1.025 1.00 64.43 H new ATOM 0 HD11 LEU A 59 5.125 5.378 1.395 1.00 3.42 H new ATOM 0 HD12 LEU A 59 6.738 5.154 0.677 1.00 3.42 H new ATOM 0 HD13 LEU A 59 6.135 6.794 1.015 1.00 3.42 H new ATOM 0 HD21 LEU A 59 3.275 6.258 0.054 1.00 24.43 H new ATOM 0 HD22 LEU A 59 4.224 7.707 -0.350 1.00 24.43 H new ATOM 0 HD23 LEU A 59 3.525 6.711 -1.648 1.00 24.43 H new ATOM 890 N THR A 60 6.707 4.113 -3.950 1.00 74.21 N ATOM 891 CA THR A 60 6.581 2.731 -4.367 1.00 33.44 C ATOM 892 C THR A 60 7.059 1.795 -3.264 1.00 72.33 C ATOM 893 O THR A 60 8.185 1.914 -2.784 1.00 42.41 O ATOM 894 CB THR A 60 7.388 2.475 -5.653 1.00 52.11 C ATOM 895 OG1 THR A 60 7.046 3.462 -6.635 1.00 24.42 O ATOM 896 CG2 THR A 60 7.106 1.084 -6.210 1.00 42.24 C ATOM 0 H THR A 60 7.651 4.491 -4.033 1.00 74.21 H new ATOM 0 HA THR A 60 5.528 2.534 -4.568 1.00 33.44 H new ATOM 0 HB THR A 60 8.449 2.540 -5.412 1.00 52.11 H new ATOM 0 HG1 THR A 60 7.560 3.301 -7.453 1.00 24.42 H new ATOM 0 HG21 THR A 60 7.689 0.931 -7.118 1.00 42.24 H new ATOM 0 HG22 THR A 60 7.382 0.333 -5.470 1.00 42.24 H new ATOM 0 HG23 THR A 60 6.045 0.993 -6.441 1.00 42.24 H new ATOM 904 N ALA A 61 6.197 0.875 -2.865 1.00 71.11 N ATOM 905 CA ALA A 61 6.521 -0.077 -1.822 1.00 1.30 C ATOM 906 C ALA A 61 5.986 -1.447 -2.197 1.00 62.24 C ATOM 907 O ALA A 61 4.776 -1.646 -2.288 1.00 52.51 O ATOM 908 CB ALA A 61 5.953 0.375 -0.483 1.00 60.24 C ATOM 0 H ALA A 61 5.260 0.769 -3.253 1.00 71.11 H new ATOM 0 HA ALA A 61 7.605 -0.135 -1.722 1.00 1.30 H new ATOM 0 HB1 ALA A 61 6.208 -0.355 0.285 1.00 60.24 H new ATOM 0 HB2 ALA A 61 6.375 1.344 -0.217 1.00 60.24 H new ATOM 0 HB3 ALA A 61 4.869 0.459 -0.557 1.00 60.24 H new ATOM 914 N ARG A 62 6.883 -2.384 -2.445 1.00 11.30 N ATOM 915 CA ARG A 62 6.466 -3.725 -2.813 1.00 40.22 C ATOM 916 C ARG A 62 6.476 -4.633 -1.599 1.00 21.05 C ATOM 917 O ARG A 62 7.469 -4.704 -0.875 1.00 45.14 O ATOM 918 CB ARG A 62 7.339 -4.304 -3.931 1.00 41.12 C ATOM 919 CG ARG A 62 8.811 -4.473 -3.579 1.00 70.21 C ATOM 920 CD ARG A 62 9.573 -5.142 -4.715 1.00 74.21 C ATOM 921 NE ARG A 62 9.547 -4.334 -5.937 1.00 61.00 N ATOM 922 CZ ARG A 62 8.681 -4.519 -6.941 1.00 75.45 C ATOM 923 NH1 ARG A 62 7.818 -5.528 -6.906 1.00 33.22 N ATOM 924 NH2 ARG A 62 8.692 -3.704 -7.984 1.00 15.15 N ATOM 0 H ARG A 62 7.892 -2.245 -2.399 1.00 11.30 H new ATOM 0 HA ARG A 62 5.447 -3.662 -3.196 1.00 40.22 H new ATOM 0 HB2 ARG A 62 6.936 -5.275 -4.219 1.00 41.12 H new ATOM 0 HB3 ARG A 62 7.262 -3.655 -4.804 1.00 41.12 H new ATOM 0 HG2 ARG A 62 9.251 -3.499 -3.366 1.00 70.21 H new ATOM 0 HG3 ARG A 62 8.905 -5.071 -2.672 1.00 70.21 H new ATOM 0 HD2 ARG A 62 10.606 -5.308 -4.411 1.00 74.21 H new ATOM 0 HD3 ARG A 62 9.139 -6.121 -4.917 1.00 74.21 H new ATOM 0 HE ARG A 62 10.232 -3.583 -6.028 1.00 61.00 H new ATOM 0 HH11 ARG A 62 7.813 -6.167 -6.111 1.00 33.22 H new ATOM 0 HH12 ARG A 62 7.161 -5.664 -7.674 1.00 33.22 H new ATOM 0 HH21 ARG A 62 9.361 -2.935 -8.023 1.00 15.15 H new ATOM 0 HH22 ARG A 62 8.032 -3.845 -8.749 1.00 15.15 H new ATOM 938 N PHE A 63 5.363 -5.310 -1.380 1.00 51.13 N ATOM 939 CA PHE A 63 5.214 -6.195 -0.236 1.00 60.54 C ATOM 940 C PHE A 63 5.237 -7.651 -0.676 1.00 74.21 C ATOM 941 O PHE A 63 4.372 -8.097 -1.433 1.00 63.21 O ATOM 942 CB PHE A 63 3.911 -5.894 0.513 1.00 23.53 C ATOM 943 CG PHE A 63 3.903 -4.560 1.203 1.00 30.11 C ATOM 944 CD1 PHE A 63 3.491 -3.418 0.535 1.00 4.12 C ATOM 945 CD2 PHE A 63 4.310 -4.448 2.522 1.00 5.13 C ATOM 946 CE1 PHE A 63 3.485 -2.191 1.169 1.00 4.15 C ATOM 947 CE2 PHE A 63 4.306 -3.224 3.163 1.00 43.14 C ATOM 948 CZ PHE A 63 3.893 -2.093 2.485 1.00 23.42 C ATOM 0 H PHE A 63 4.542 -5.264 -1.984 1.00 51.13 H new ATOM 0 HA PHE A 63 6.053 -6.021 0.437 1.00 60.54 H new ATOM 0 HB2 PHE A 63 3.080 -5.933 -0.192 1.00 23.53 H new ATOM 0 HB3 PHE A 63 3.739 -6.676 1.252 1.00 23.53 H new ATOM 0 HD1 PHE A 63 3.171 -3.488 -0.494 1.00 4.12 H new ATOM 0 HD2 PHE A 63 4.635 -5.329 3.056 1.00 5.13 H new ATOM 0 HE1 PHE A 63 3.162 -1.309 0.636 1.00 4.15 H new ATOM 0 HE2 PHE A 63 4.625 -3.151 4.192 1.00 43.14 H new ATOM 0 HZ PHE A 63 3.889 -1.135 2.983 1.00 23.42 H new ATOM 958 N LYS A 64 6.243 -8.373 -0.216 1.00 51.52 N ATOM 959 CA LYS A 64 6.366 -9.795 -0.481 1.00 72.43 C ATOM 960 C LYS A 64 6.054 -10.578 0.788 1.00 12.14 C ATOM 961 O LYS A 64 6.580 -10.272 1.858 1.00 63.05 O ATOM 962 CB LYS A 64 7.782 -10.126 -0.950 1.00 75.31 C ATOM 963 CG LYS A 64 8.012 -11.613 -1.145 1.00 54.22 C ATOM 964 CD LYS A 64 9.476 -11.971 -0.992 1.00 64.25 C ATOM 965 CE LYS A 64 9.673 -13.473 -0.962 1.00 72.01 C ATOM 966 NZ LYS A 64 11.047 -13.840 -0.543 1.00 73.43 N ATOM 0 H LYS A 64 6.998 -7.990 0.352 1.00 51.52 H new ATOM 0 HA LYS A 64 5.661 -10.070 -1.265 1.00 72.43 H new ATOM 0 HB2 LYS A 64 7.978 -9.608 -1.889 1.00 75.31 H new ATOM 0 HB3 LYS A 64 8.498 -9.746 -0.221 1.00 75.31 H new ATOM 0 HG2 LYS A 64 7.421 -12.172 -0.419 1.00 54.22 H new ATOM 0 HG3 LYS A 64 7.665 -11.910 -2.135 1.00 54.22 H new ATOM 0 HD2 LYS A 64 10.046 -11.543 -1.817 1.00 64.25 H new ATOM 0 HD3 LYS A 64 9.866 -11.532 -0.074 1.00 64.25 H new ATOM 0 HE2 LYS A 64 8.953 -13.920 -0.277 1.00 72.01 H new ATOM 0 HE3 LYS A 64 9.472 -13.886 -1.951 1.00 72.01 H new ATOM 0 HZ1 LYS A 64 11.174 -14.868 -0.632 1.00 73.43 H new ATOM 0 HZ2 LYS A 64 11.737 -13.352 -1.149 1.00 73.43 H new ATOM 0 HZ3 LYS A 64 11.195 -13.558 0.447 1.00 73.43 H new ATOM 980 N PHE A 65 5.212 -11.587 0.670 1.00 53.32 N ATOM 981 CA PHE A 65 4.792 -12.359 1.829 1.00 40.22 C ATOM 982 C PHE A 65 5.434 -13.735 1.824 1.00 44.01 C ATOM 983 O PHE A 65 6.120 -14.106 0.869 1.00 33.40 O ATOM 984 CB PHE A 65 3.268 -12.452 1.873 1.00 63.31 C ATOM 985 CG PHE A 65 2.627 -11.125 2.148 1.00 64.13 C ATOM 986 CD1 PHE A 65 2.360 -10.240 1.118 1.00 20.13 C ATOM 987 CD2 PHE A 65 2.314 -10.754 3.442 1.00 23.33 C ATOM 988 CE1 PHE A 65 1.789 -9.010 1.378 1.00 41.22 C ATOM 989 CE2 PHE A 65 1.746 -9.527 3.709 1.00 15.43 C ATOM 990 CZ PHE A 65 1.484 -8.654 2.677 1.00 63.20 C ATOM 0 H PHE A 65 4.805 -11.893 -0.214 1.00 53.32 H new ATOM 0 HA PHE A 65 5.127 -11.848 2.732 1.00 40.22 H new ATOM 0 HB2 PHE A 65 2.902 -12.840 0.923 1.00 63.31 H new ATOM 0 HB3 PHE A 65 2.971 -13.163 2.644 1.00 63.31 H new ATOM 0 HD1 PHE A 65 2.601 -10.514 0.101 1.00 20.13 H new ATOM 0 HD2 PHE A 65 2.517 -11.435 4.255 1.00 23.33 H new ATOM 0 HE1 PHE A 65 1.581 -8.328 0.567 1.00 41.22 H new ATOM 0 HE2 PHE A 65 1.507 -9.251 4.725 1.00 15.43 H new ATOM 0 HZ PHE A 65 1.040 -7.691 2.883 1.00 63.20 H new ATOM 1000 N GLU A 66 5.218 -14.488 2.894 1.00 75.23 N ATOM 1001 CA GLU A 66 5.867 -15.770 3.065 1.00 10.35 C ATOM 1002 C GLU A 66 5.139 -16.853 2.282 1.00 64.25 C ATOM 1003 O GLU A 66 5.769 -17.731 1.690 1.00 71.22 O ATOM 1004 CB GLU A 66 5.939 -16.129 4.546 1.00 15.31 C ATOM 1005 CG GLU A 66 6.813 -15.186 5.356 1.00 32.22 C ATOM 1006 CD GLU A 66 7.022 -15.662 6.776 1.00 14.24 C ATOM 1007 OE1 GLU A 66 6.159 -15.397 7.633 1.00 74.53 O ATOM 1008 OE2 GLU A 66 8.055 -16.314 7.041 1.00 53.21 O ATOM 0 H GLU A 66 4.594 -14.227 3.657 1.00 75.23 H new ATOM 0 HA GLU A 66 6.882 -15.700 2.675 1.00 10.35 H new ATOM 0 HB2 GLU A 66 4.932 -16.126 4.962 1.00 15.31 H new ATOM 0 HB3 GLU A 66 6.322 -17.144 4.647 1.00 15.31 H new ATOM 0 HG2 GLU A 66 7.781 -15.082 4.865 1.00 32.22 H new ATOM 0 HG3 GLU A 66 6.356 -14.197 5.372 1.00 32.22 H new ATOM 1015 N VAL A 67 3.814 -16.796 2.289 1.00 20.24 N ATOM 1016 CA VAL A 67 3.017 -17.695 1.468 1.00 34.04 C ATOM 1017 C VAL A 67 2.112 -16.900 0.535 1.00 23.54 C ATOM 1018 O VAL A 67 1.772 -15.746 0.809 1.00 24.14 O ATOM 1019 CB VAL A 67 2.170 -18.684 2.304 1.00 14.40 C ATOM 1020 CG1 VAL A 67 3.062 -19.549 3.179 1.00 35.20 C ATOM 1021 CG2 VAL A 67 1.138 -17.956 3.147 1.00 1.04 C ATOM 0 H VAL A 67 3.271 -16.140 2.851 1.00 20.24 H new ATOM 0 HA VAL A 67 3.721 -18.288 0.884 1.00 34.04 H new ATOM 0 HB VAL A 67 1.635 -19.331 1.609 1.00 14.40 H new ATOM 0 HG11 VAL A 67 2.446 -20.237 3.758 1.00 35.20 H new ATOM 0 HG12 VAL A 67 3.748 -20.117 2.550 1.00 35.20 H new ATOM 0 HG13 VAL A 67 3.633 -18.914 3.857 1.00 35.20 H new ATOM 0 HG21 VAL A 67 0.561 -18.681 3.721 1.00 1.04 H new ATOM 0 HG22 VAL A 67 1.643 -17.272 3.829 1.00 1.04 H new ATOM 0 HG23 VAL A 67 0.469 -17.393 2.497 1.00 1.04 H new ATOM 1031 N SER A 68 1.712 -17.528 -0.559 1.00 70.01 N ATOM 1032 CA SER A 68 0.953 -16.860 -1.603 1.00 31.01 C ATOM 1033 C SER A 68 -0.418 -16.404 -1.103 1.00 62.24 C ATOM 1034 O SER A 68 -0.990 -15.435 -1.610 1.00 24.52 O ATOM 1035 CB SER A 68 0.805 -17.803 -2.794 1.00 32.45 C ATOM 1036 OG SER A 68 2.057 -18.394 -3.124 1.00 54.32 O ATOM 0 H SER A 68 1.904 -18.512 -0.748 1.00 70.01 H new ATOM 0 HA SER A 68 1.495 -15.965 -1.908 1.00 31.01 H new ATOM 0 HB2 SER A 68 0.080 -18.582 -2.560 1.00 32.45 H new ATOM 0 HB3 SER A 68 0.418 -17.255 -3.653 1.00 32.45 H new ATOM 0 HG SER A 68 2.738 -18.097 -2.485 1.00 54.32 H new ATOM 1042 N ALA A 69 -0.920 -17.090 -0.090 1.00 32.30 N ATOM 1043 CA ALA A 69 -2.216 -16.765 0.494 1.00 54.05 C ATOM 1044 C ALA A 69 -2.185 -15.400 1.177 1.00 42.04 C ATOM 1045 O ALA A 69 -3.138 -14.630 1.082 1.00 31.43 O ATOM 1046 CB ALA A 69 -2.638 -17.840 1.484 1.00 52.13 C ATOM 0 H ALA A 69 -0.448 -17.881 0.349 1.00 32.30 H new ATOM 0 HA ALA A 69 -2.947 -16.724 -0.313 1.00 54.05 H new ATOM 0 HB1 ALA A 69 -3.607 -17.582 1.910 1.00 52.13 H new ATOM 0 HB2 ALA A 69 -2.711 -18.799 0.971 1.00 52.13 H new ATOM 0 HB3 ALA A 69 -1.898 -17.911 2.281 1.00 52.13 H new ATOM 1052 N GLU A 70 -1.072 -15.099 1.843 1.00 40.33 N ATOM 1053 CA GLU A 70 -0.914 -13.834 2.553 1.00 31.20 C ATOM 1054 C GLU A 70 -0.943 -12.665 1.576 1.00 30.21 C ATOM 1055 O GLU A 70 -1.406 -11.572 1.906 1.00 3.41 O ATOM 1056 CB GLU A 70 0.399 -13.843 3.337 1.00 42.32 C ATOM 1057 CG GLU A 70 0.449 -14.911 4.413 1.00 33.41 C ATOM 1058 CD GLU A 70 1.803 -15.003 5.085 1.00 11.22 C ATOM 1059 OE1 GLU A 70 2.811 -15.200 4.378 1.00 24.11 O ATOM 1060 OE2 GLU A 70 1.864 -14.909 6.327 1.00 31.33 O ATOM 0 H GLU A 70 -0.264 -15.718 1.905 1.00 40.33 H new ATOM 0 HA GLU A 70 -1.743 -13.714 3.250 1.00 31.20 H new ATOM 0 HB2 GLU A 70 1.227 -13.996 2.644 1.00 42.32 H new ATOM 0 HB3 GLU A 70 0.546 -12.866 3.798 1.00 42.32 H new ATOM 0 HG2 GLU A 70 -0.311 -14.699 5.165 1.00 33.41 H new ATOM 0 HG3 GLU A 70 0.201 -15.876 3.972 1.00 33.41 H new ATOM 1067 N LYS A 71 -0.464 -12.915 0.365 1.00 50.12 N ATOM 1068 CA LYS A 71 -0.467 -11.906 -0.682 1.00 71.33 C ATOM 1069 C LYS A 71 -1.892 -11.565 -1.091 1.00 13.21 C ATOM 1070 O LYS A 71 -2.251 -10.396 -1.193 1.00 11.24 O ATOM 1071 CB LYS A 71 0.319 -12.405 -1.895 1.00 11.22 C ATOM 1072 CG LYS A 71 1.377 -11.431 -2.383 1.00 1.42 C ATOM 1073 CD LYS A 71 0.796 -10.262 -3.163 1.00 21.32 C ATOM 1074 CE LYS A 71 0.282 -10.687 -4.534 1.00 34.13 C ATOM 1075 NZ LYS A 71 0.180 -9.530 -5.467 1.00 53.14 N ATOM 0 H LYS A 71 -0.067 -13.812 0.084 1.00 50.12 H new ATOM 0 HA LYS A 71 0.009 -11.005 -0.295 1.00 71.33 H new ATOM 0 HB2 LYS A 71 0.798 -13.351 -1.642 1.00 11.22 H new ATOM 0 HB3 LYS A 71 -0.377 -12.608 -2.709 1.00 11.22 H new ATOM 0 HG2 LYS A 71 1.933 -11.049 -1.527 1.00 1.42 H new ATOM 0 HG3 LYS A 71 2.089 -11.963 -3.014 1.00 1.42 H new ATOM 0 HD2 LYS A 71 -0.019 -9.816 -2.593 1.00 21.32 H new ATOM 0 HD3 LYS A 71 1.559 -9.493 -3.285 1.00 21.32 H new ATOM 0 HE2 LYS A 71 0.950 -11.437 -4.957 1.00 34.13 H new ATOM 0 HE3 LYS A 71 -0.696 -11.155 -4.427 1.00 34.13 H new ATOM 0 HZ1 LYS A 71 -0.386 -9.802 -6.296 1.00 53.14 H new ATOM 0 HZ2 LYS A 71 -0.278 -8.732 -4.982 1.00 53.14 H new ATOM 0 HZ3 LYS A 71 1.132 -9.248 -5.775 1.00 53.14 H new ATOM 1089 N LEU A 72 -2.704 -12.599 -1.305 1.00 75.51 N ATOM 1090 CA LEU A 72 -4.092 -12.421 -1.718 1.00 11.40 C ATOM 1091 C LEU A 72 -4.877 -11.652 -0.662 1.00 11.20 C ATOM 1092 O LEU A 72 -5.731 -10.824 -0.984 1.00 72.34 O ATOM 1093 CB LEU A 72 -4.754 -13.780 -1.968 1.00 52.11 C ATOM 1094 CG LEU A 72 -4.071 -14.654 -3.020 1.00 74.52 C ATOM 1095 CD1 LEU A 72 -4.805 -15.978 -3.164 1.00 75.14 C ATOM 1096 CD2 LEU A 72 -4.003 -13.936 -4.360 1.00 33.44 C ATOM 0 H LEU A 72 -2.421 -13.573 -1.198 1.00 75.51 H new ATOM 0 HA LEU A 72 -4.097 -11.846 -2.644 1.00 11.40 H new ATOM 0 HB2 LEU A 72 -4.785 -14.329 -1.027 1.00 52.11 H new ATOM 0 HB3 LEU A 72 -5.787 -13.612 -2.273 1.00 52.11 H new ATOM 0 HG LEU A 72 -3.052 -14.853 -2.689 1.00 74.52 H new ATOM 0 HD11 LEU A 72 -4.307 -16.590 -3.916 1.00 75.14 H new ATOM 0 HD12 LEU A 72 -4.800 -16.503 -2.209 1.00 75.14 H new ATOM 0 HD13 LEU A 72 -5.834 -15.792 -3.470 1.00 75.14 H new ATOM 0 HD21 LEU A 72 -3.513 -14.578 -5.092 1.00 33.44 H new ATOM 0 HD22 LEU A 72 -5.012 -13.703 -4.700 1.00 33.44 H new ATOM 0 HD23 LEU A 72 -3.435 -13.012 -4.249 1.00 33.44 H new ATOM 1108 N ILE A 73 -4.576 -11.931 0.599 1.00 50.51 N ATOM 1109 CA ILE A 73 -5.212 -11.245 1.714 1.00 53.11 C ATOM 1110 C ILE A 73 -4.848 -9.763 1.715 1.00 61.12 C ATOM 1111 O ILE A 73 -5.720 -8.906 1.836 1.00 25.33 O ATOM 1112 CB ILE A 73 -4.798 -11.880 3.062 1.00 34.33 C ATOM 1113 CG1 ILE A 73 -5.208 -13.353 3.098 1.00 71.30 C ATOM 1114 CG2 ILE A 73 -5.416 -11.127 4.231 1.00 3.12 C ATOM 1115 CD1 ILE A 73 -4.712 -14.092 4.321 1.00 40.53 C ATOM 0 H ILE A 73 -3.890 -12.633 0.876 1.00 50.51 H new ATOM 0 HA ILE A 73 -6.290 -11.347 1.593 1.00 53.11 H new ATOM 0 HB ILE A 73 -3.714 -11.814 3.154 1.00 34.33 H new ATOM 0 HG12 ILE A 73 -6.295 -13.419 3.060 1.00 71.30 H new ATOM 0 HG13 ILE A 73 -4.827 -13.849 2.205 1.00 71.30 H new ATOM 0 HG21 ILE A 73 -5.109 -11.594 5.167 1.00 3.12 H new ATOM 0 HG22 ILE A 73 -5.079 -10.090 4.215 1.00 3.12 H new ATOM 0 HG23 ILE A 73 -6.503 -11.157 4.150 1.00 3.12 H new ATOM 0 HD11 ILE A 73 -5.041 -15.130 4.277 1.00 40.53 H new ATOM 0 HD12 ILE A 73 -3.623 -14.058 4.350 1.00 40.53 H new ATOM 0 HD13 ILE A 73 -5.114 -13.621 5.218 1.00 40.53 H new ATOM 1127 N PHE A 74 -3.563 -9.468 1.562 1.00 0.34 N ATOM 1128 CA PHE A 74 -3.095 -8.086 1.543 1.00 12.11 C ATOM 1129 C PHE A 74 -3.696 -7.334 0.359 1.00 61.35 C ATOM 1130 O PHE A 74 -4.109 -6.182 0.493 1.00 14.23 O ATOM 1131 CB PHE A 74 -1.570 -8.041 1.479 1.00 43.44 C ATOM 1132 CG PHE A 74 -0.989 -6.663 1.635 1.00 4.32 C ATOM 1133 CD1 PHE A 74 -0.978 -6.039 2.872 1.00 4.25 C ATOM 1134 CD2 PHE A 74 -0.445 -5.996 0.548 1.00 2.23 C ATOM 1135 CE1 PHE A 74 -0.438 -4.776 3.023 1.00 43.52 C ATOM 1136 CE2 PHE A 74 0.098 -4.734 0.693 1.00 23.20 C ATOM 1137 CZ PHE A 74 0.102 -4.123 1.931 1.00 11.00 C ATOM 0 H PHE A 74 -2.827 -10.165 1.449 1.00 0.34 H new ATOM 0 HA PHE A 74 -3.420 -7.600 2.463 1.00 12.11 H new ATOM 0 HB2 PHE A 74 -1.165 -8.685 2.260 1.00 43.44 H new ATOM 0 HB3 PHE A 74 -1.245 -8.455 0.524 1.00 43.44 H new ATOM 0 HD1 PHE A 74 -1.397 -6.546 3.729 1.00 4.25 H new ATOM 0 HD2 PHE A 74 -0.446 -6.468 -0.423 1.00 2.23 H new ATOM 0 HE1 PHE A 74 -0.438 -4.300 3.992 1.00 43.52 H new ATOM 0 HE2 PHE A 74 0.519 -4.226 -0.162 1.00 23.20 H new ATOM 0 HZ PHE A 74 0.526 -3.137 2.046 1.00 11.00 H new ATOM 1147 N GLU A 75 -3.739 -7.998 -0.796 1.00 55.21 N ATOM 1148 CA GLU A 75 -4.387 -7.453 -1.984 1.00 33.31 C ATOM 1149 C GLU A 75 -5.819 -7.035 -1.656 1.00 31.41 C ATOM 1150 O GLU A 75 -6.217 -5.895 -1.874 1.00 1.34 O ATOM 1151 CB GLU A 75 -4.406 -8.508 -3.100 1.00 31.23 C ATOM 1152 CG GLU A 75 -3.049 -8.837 -3.696 1.00 60.13 C ATOM 1153 CD GLU A 75 -2.555 -7.781 -4.654 1.00 41.41 C ATOM 1154 OE1 GLU A 75 -3.372 -7.240 -5.423 1.00 41.04 O ATOM 1155 OE2 GLU A 75 -1.339 -7.523 -4.677 1.00 34.32 O ATOM 0 H GLU A 75 -3.328 -8.922 -0.932 1.00 55.21 H new ATOM 0 HA GLU A 75 -3.826 -6.581 -2.319 1.00 33.31 H new ATOM 0 HB2 GLU A 75 -4.844 -9.425 -2.705 1.00 31.23 H new ATOM 0 HB3 GLU A 75 -5.061 -8.159 -3.898 1.00 31.23 H new ATOM 0 HG2 GLU A 75 -2.324 -8.957 -2.891 1.00 60.13 H new ATOM 0 HG3 GLU A 75 -3.109 -9.793 -4.217 1.00 60.13 H new ATOM 1162 N LEU A 76 -6.571 -7.968 -1.092 1.00 13.11 N ATOM 1163 CA LEU A 76 -7.963 -7.755 -0.764 1.00 23.42 C ATOM 1164 C LEU A 76 -8.140 -6.683 0.310 1.00 21.10 C ATOM 1165 O LEU A 76 -9.048 -5.848 0.231 1.00 50.15 O ATOM 1166 CB LEU A 76 -8.548 -9.085 -0.296 1.00 44.42 C ATOM 1167 CG LEU A 76 -9.074 -9.998 -1.405 1.00 41.40 C ATOM 1168 CD1 LEU A 76 -9.582 -11.305 -0.819 1.00 10.11 C ATOM 1169 CD2 LEU A 76 -10.173 -9.304 -2.197 1.00 25.34 C ATOM 0 H LEU A 76 -6.226 -8.897 -0.850 1.00 13.11 H new ATOM 0 HA LEU A 76 -8.488 -7.396 -1.650 1.00 23.42 H new ATOM 0 HB2 LEU A 76 -7.781 -9.623 0.261 1.00 44.42 H new ATOM 0 HB3 LEU A 76 -9.362 -8.880 0.399 1.00 44.42 H new ATOM 0 HG LEU A 76 -8.252 -10.220 -2.086 1.00 41.40 H new ATOM 0 HD11 LEU A 76 -9.953 -11.943 -1.621 1.00 10.11 H new ATOM 0 HD12 LEU A 76 -8.769 -11.811 -0.299 1.00 10.11 H new ATOM 0 HD13 LEU A 76 -10.389 -11.099 -0.116 1.00 10.11 H new ATOM 0 HD21 LEU A 76 -10.533 -9.971 -2.981 1.00 25.34 H new ATOM 0 HD22 LEU A 76 -10.997 -9.050 -1.530 1.00 25.34 H new ATOM 0 HD23 LEU A 76 -9.777 -8.394 -2.648 1.00 25.34 H new ATOM 1181 N LYS A 77 -7.269 -6.713 1.310 1.00 13.04 N ATOM 1182 CA LYS A 77 -7.318 -5.755 2.408 1.00 73.52 C ATOM 1183 C LYS A 77 -7.071 -4.333 1.915 1.00 33.45 C ATOM 1184 O LYS A 77 -7.852 -3.429 2.206 1.00 15.45 O ATOM 1185 CB LYS A 77 -6.287 -6.114 3.480 1.00 53.44 C ATOM 1186 CG LYS A 77 -6.867 -6.837 4.689 1.00 40.44 C ATOM 1187 CD LYS A 77 -7.523 -8.155 4.320 1.00 42.14 C ATOM 1188 CE LYS A 77 -7.777 -9.008 5.553 1.00 52.41 C ATOM 1189 NZ LYS A 77 -8.743 -8.382 6.492 1.00 2.03 N ATOM 0 H LYS A 77 -6.515 -7.396 1.384 1.00 13.04 H new ATOM 0 HA LYS A 77 -8.318 -5.802 2.840 1.00 73.52 H new ATOM 0 HB2 LYS A 77 -5.517 -6.741 3.031 1.00 53.44 H new ATOM 0 HB3 LYS A 77 -5.798 -5.200 3.818 1.00 53.44 H new ATOM 0 HG2 LYS A 77 -6.074 -7.020 5.413 1.00 40.44 H new ATOM 0 HG3 LYS A 77 -7.600 -6.194 5.175 1.00 40.44 H new ATOM 0 HD2 LYS A 77 -8.465 -7.964 3.807 1.00 42.14 H new ATOM 0 HD3 LYS A 77 -6.885 -8.699 3.623 1.00 42.14 H new ATOM 0 HE2 LYS A 77 -8.156 -9.982 5.244 1.00 52.41 H new ATOM 0 HE3 LYS A 77 -6.834 -9.182 6.071 1.00 52.41 H new ATOM 0 HZ1 LYS A 77 -8.893 -9.011 7.306 1.00 2.03 H new ATOM 0 HZ2 LYS A 77 -8.365 -7.472 6.823 1.00 2.03 H new ATOM 0 HZ3 LYS A 77 -9.648 -8.224 6.005 1.00 2.03 H new ATOM 1203 N THR A 78 -5.996 -4.143 1.157 1.00 52.11 N ATOM 1204 CA THR A 78 -5.612 -2.816 0.694 1.00 13.53 C ATOM 1205 C THR A 78 -6.660 -2.222 -0.240 1.00 75.33 C ATOM 1206 O THR A 78 -6.939 -1.027 -0.180 1.00 23.14 O ATOM 1207 CB THR A 78 -4.244 -2.833 -0.011 1.00 65.02 C ATOM 1208 OG1 THR A 78 -4.192 -3.903 -0.959 1.00 34.21 O ATOM 1209 CG2 THR A 78 -3.119 -2.980 1.000 1.00 41.14 C ATOM 0 H THR A 78 -5.375 -4.892 0.851 1.00 52.11 H new ATOM 0 HA THR A 78 -5.539 -2.188 1.582 1.00 13.53 H new ATOM 0 HB THR A 78 -4.116 -1.886 -0.535 1.00 65.02 H new ATOM 0 HG1 THR A 78 -4.127 -4.758 -0.484 1.00 34.21 H new ATOM 0 HG21 THR A 78 -2.161 -2.990 0.480 1.00 41.14 H new ATOM 0 HG22 THR A 78 -3.145 -2.143 1.697 1.00 41.14 H new ATOM 0 HG23 THR A 78 -3.243 -3.913 1.549 1.00 41.14 H new ATOM 1217 N ARG A 79 -7.249 -3.058 -1.087 1.00 54.03 N ATOM 1218 CA ARG A 79 -8.297 -2.622 -1.987 1.00 74.02 C ATOM 1219 C ARG A 79 -9.485 -2.066 -1.213 1.00 4.44 C ATOM 1220 O ARG A 79 -10.055 -1.038 -1.573 1.00 4.00 O ATOM 1221 CB ARG A 79 -8.730 -3.788 -2.866 1.00 24.22 C ATOM 1222 CG ARG A 79 -7.663 -4.216 -3.853 1.00 61.24 C ATOM 1223 CD ARG A 79 -8.135 -5.353 -4.736 1.00 33.51 C ATOM 1224 NE ARG A 79 -7.146 -5.675 -5.760 1.00 11.42 N ATOM 1225 CZ ARG A 79 -7.403 -6.401 -6.840 1.00 23.23 C ATOM 1226 NH1 ARG A 79 -8.609 -6.922 -7.028 1.00 61.25 N ATOM 1227 NH2 ARG A 79 -6.446 -6.619 -7.727 1.00 52.23 N ATOM 0 H ARG A 79 -7.013 -4.047 -1.165 1.00 54.03 H new ATOM 0 HA ARG A 79 -7.908 -1.822 -2.617 1.00 74.02 H new ATOM 0 HB2 ARG A 79 -8.991 -4.636 -2.232 1.00 24.22 H new ATOM 0 HB3 ARG A 79 -9.631 -3.509 -3.412 1.00 24.22 H new ATOM 0 HG2 ARG A 79 -7.381 -3.366 -4.475 1.00 61.24 H new ATOM 0 HG3 ARG A 79 -6.769 -4.524 -3.311 1.00 61.24 H new ATOM 0 HD2 ARG A 79 -8.329 -6.234 -4.125 1.00 33.51 H new ATOM 0 HD3 ARG A 79 -9.078 -5.080 -5.211 1.00 33.51 H new ATOM 0 HE ARG A 79 -6.198 -5.319 -5.637 1.00 11.42 H new ATOM 0 HH11 ARG A 79 -9.345 -6.765 -6.340 1.00 61.25 H new ATOM 0 HH12 ARG A 79 -8.800 -7.479 -7.861 1.00 61.25 H new ATOM 0 HH21 ARG A 79 -5.515 -6.229 -7.579 1.00 52.23 H new ATOM 0 HH22 ARG A 79 -6.639 -7.177 -8.559 1.00 52.23 H new ATOM 1241 N SER A 80 -9.854 -2.757 -0.146 1.00 73.40 N ATOM 1242 CA SER A 80 -10.974 -2.356 0.672 1.00 31.14 C ATOM 1243 C SER A 80 -10.594 -1.209 1.618 1.00 23.43 C ATOM 1244 O SER A 80 -11.461 -0.530 2.170 1.00 73.34 O ATOM 1245 CB SER A 80 -11.460 -3.570 1.456 1.00 74.35 C ATOM 1246 OG SER A 80 -11.694 -4.673 0.589 1.00 24.23 O ATOM 0 H SER A 80 -9.385 -3.606 0.171 1.00 73.40 H new ATOM 0 HA SER A 80 -11.774 -1.985 0.031 1.00 31.14 H new ATOM 0 HB2 SER A 80 -10.719 -3.843 2.207 1.00 74.35 H new ATOM 0 HB3 SER A 80 -12.377 -3.320 1.989 1.00 74.35 H new ATOM 0 HG SER A 80 -10.848 -5.133 0.409 1.00 24.23 H new ATOM 1252 N LEU A 81 -9.296 -0.998 1.796 1.00 45.50 N ATOM 1253 CA LEU A 81 -8.796 0.070 2.637 1.00 24.24 C ATOM 1254 C LEU A 81 -8.680 1.357 1.827 1.00 44.21 C ATOM 1255 O LEU A 81 -9.029 2.441 2.297 1.00 74.33 O ATOM 1256 CB LEU A 81 -7.437 -0.336 3.214 1.00 5.41 C ATOM 1257 CG LEU A 81 -6.558 0.818 3.674 1.00 55.32 C ATOM 1258 CD1 LEU A 81 -7.136 1.490 4.911 1.00 41.31 C ATOM 1259 CD2 LEU A 81 -5.138 0.340 3.933 1.00 73.41 C ATOM 0 H LEU A 81 -8.567 -1.563 1.361 1.00 45.50 H new ATOM 0 HA LEU A 81 -9.488 0.248 3.460 1.00 24.24 H new ATOM 0 HB2 LEU A 81 -7.604 -1.004 4.059 1.00 5.41 H new ATOM 0 HB3 LEU A 81 -6.895 -0.906 2.459 1.00 5.41 H new ATOM 0 HG LEU A 81 -6.530 1.559 2.875 1.00 55.32 H new ATOM 0 HD11 LEU A 81 -6.487 2.310 5.216 1.00 41.31 H new ATOM 0 HD12 LEU A 81 -8.129 1.878 4.684 1.00 41.31 H new ATOM 0 HD13 LEU A 81 -7.207 0.763 5.720 1.00 41.31 H new ATOM 0 HD21 LEU A 81 -4.525 1.180 4.261 1.00 73.41 H new ATOM 0 HD22 LEU A 81 -5.148 -0.426 4.708 1.00 73.41 H new ATOM 0 HD23 LEU A 81 -4.721 -0.077 3.016 1.00 73.41 H new