USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 CYS SG : rot 180:sc= -0.346 USER MOD Single : A 8 THR OG1 : rot 157:sc= 0.936 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= 1.03 (180deg=0.592) USER MOD Single : A 55 SER OG : rot -19:sc= 0.0804 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.427 K(o=-0.43,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -1.410 10.001 9.316 1.00 0.00 N ATOM 32 CA GLY A 3 -1.440 8.718 8.631 1.00 0.00 C ATOM 33 C GLY A 3 -1.280 8.890 7.137 1.00 0.00 C ATOM 34 O GLY A 3 -2.261 9.187 6.443 1.00 0.00 O ATOM 0 HA2 GLY A 3 -0.643 8.080 9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.382 8.212 8.842 1.00 0.00 H new ATOM 38 N ALA A 4 -0.030 8.757 6.644 1.00 0.00 N ATOM 39 CA ALA A 4 0.264 8.758 5.204 1.00 0.00 C ATOM 40 C ALA A 4 -0.326 7.480 4.589 1.00 0.00 C ATOM 41 O ALA A 4 0.223 6.399 4.765 1.00 0.00 O ATOM 42 CB ALA A 4 1.785 8.854 4.961 1.00 0.00 C ATOM 0 H ALA A 4 0.796 8.647 7.233 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.189 9.628 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.983 8.853 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.166 9.776 5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.282 8.000 5.422 1.00 0.00 H new ATOM 48 N ARG A 5 -1.503 7.604 3.965 1.00 0.00 N ATOM 49 CA ARG A 5 -2.243 6.464 3.393 1.00 0.00 C ATOM 50 C ARG A 5 -2.382 6.635 1.876 1.00 0.00 C ATOM 51 O ARG A 5 -2.333 7.755 1.349 1.00 0.00 O ATOM 52 CB ARG A 5 -3.651 6.345 4.039 1.00 0.00 C ATOM 53 CG ARG A 5 -3.660 6.220 5.580 1.00 0.00 C ATOM 54 CD ARG A 5 -5.082 6.251 6.168 1.00 0.00 C ATOM 55 NE ARG A 5 -5.071 6.318 7.642 1.00 0.00 N ATOM 56 CZ ARG A 5 -6.154 6.455 8.420 1.00 0.00 C ATOM 57 NH1 ARG A 5 -7.373 6.522 7.894 1.00 0.00 N ATOM 58 NH2 ARG A 5 -6.007 6.526 9.734 1.00 0.00 N ATOM 0 H ARG A 5 -1.974 8.500 3.840 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.684 5.552 3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.237 7.220 3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.154 5.475 3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.172 5.289 5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.075 7.033 6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.620 7.112 5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.625 5.361 5.850 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.165 6.255 8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.496 6.469 6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.186 6.626 8.502 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.075 6.476 10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.825 6.630 10.334 1.00 0.00 H new ATOM 72 N CYS A 6 -2.565 5.504 1.195 1.00 0.00 N ATOM 73 CA CYS A 6 -2.799 5.431 -0.249 1.00 0.00 C ATOM 74 C CYS A 6 -3.870 4.369 -0.519 1.00 0.00 C ATOM 75 O CYS A 6 -4.078 3.478 0.296 1.00 0.00 O ATOM 76 CB CYS A 6 -1.485 5.079 -0.987 1.00 0.00 C ATOM 77 SG CYS A 6 -0.148 6.270 -0.722 1.00 0.00 S ATOM 0 H CYS A 6 -2.554 4.588 1.644 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.143 6.397 -0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.150 4.094 -0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.688 5.009 -2.056 1.00 0.00 H new ATOM 0 HG CYS A 6 0.909 5.889 -1.377 1.00 0.00 H new ATOM 83 N ARG A 7 -4.559 4.484 -1.654 1.00 0.00 N ATOM 84 CA ARG A 7 -5.562 3.505 -2.102 1.00 0.00 C ATOM 85 C ARG A 7 -4.994 2.703 -3.280 1.00 0.00 C ATOM 86 O ARG A 7 -4.179 3.219 -4.047 1.00 0.00 O ATOM 87 CB ARG A 7 -6.861 4.243 -2.509 1.00 0.00 C ATOM 88 CG ARG A 7 -8.081 3.335 -2.740 1.00 0.00 C ATOM 89 CD ARG A 7 -9.356 4.131 -3.072 1.00 0.00 C ATOM 90 NE ARG A 7 -10.571 3.294 -2.982 1.00 0.00 N ATOM 91 CZ ARG A 7 -11.278 3.081 -1.852 1.00 0.00 C ATOM 92 NH1 ARG A 7 -10.907 3.624 -0.696 1.00 0.00 N ATOM 93 NH2 ARG A 7 -12.356 2.324 -1.886 1.00 0.00 N ATOM 0 H ARG A 7 -4.439 5.266 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.799 2.815 -1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.108 4.967 -1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.669 4.807 -3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.866 2.644 -3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.255 2.732 -1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.445 4.974 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.274 4.544 -4.077 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.899 2.844 -3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.075 4.213 -0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.454 3.452 0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.654 1.901 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.892 2.161 -1.034 1.00 0.00 H new ATOM 107 N THR A 8 -5.405 1.436 -3.410 1.00 0.00 N ATOM 108 CA THR A 8 -4.954 0.561 -4.499 1.00 0.00 C ATOM 109 C THR A 8 -5.909 0.657 -5.699 1.00 0.00 C ATOM 110 O THR A 8 -7.134 0.557 -5.538 1.00 0.00 O ATOM 111 CB THR A 8 -4.837 -0.910 -3.998 1.00 0.00 C ATOM 112 OG1 THR A 8 -6.097 -1.353 -3.479 1.00 0.00 O ATOM 113 CG2 THR A 8 -3.757 -1.042 -2.904 1.00 0.00 C ATOM 0 H THR A 8 -6.057 0.989 -2.766 1.00 0.00 H new ATOM 0 HA THR A 8 -3.968 0.891 -4.825 1.00 0.00 H new ATOM 0 HB THR A 8 -4.549 -1.531 -4.846 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.141 -2.331 -3.518 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.698 -2.079 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.792 -0.734 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.017 -0.406 -2.058 1.00 0.00 H new ATOM 121 N LEU A 9 -5.323 0.871 -6.892 1.00 0.00 N ATOM 122 CA LEU A 9 -6.054 1.015 -8.161 1.00 0.00 C ATOM 123 C LEU A 9 -6.814 -0.279 -8.511 1.00 0.00 C ATOM 124 O LEU A 9 -8.045 -0.295 -8.557 1.00 0.00 O ATOM 125 CB LEU A 9 -5.045 1.382 -9.287 1.00 0.00 C ATOM 126 CG LEU A 9 -4.373 2.785 -9.149 1.00 0.00 C ATOM 127 CD1 LEU A 9 -3.172 2.940 -10.111 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.423 3.905 -9.354 1.00 0.00 C ATOM 0 H LEU A 9 -4.312 0.950 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.793 1.810 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.263 0.624 -9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.563 1.338 -10.245 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.975 2.875 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.731 3.929 -9.986 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.425 2.178 -9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.512 2.822 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.941 4.878 -9.255 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.860 3.816 -10.348 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.207 3.810 -8.603 1.00 0.00 H new ATOM 140 N TYR A 10 -6.055 -1.360 -8.743 1.00 0.00 N ATOM 141 CA TYR A 10 -6.594 -2.679 -9.142 1.00 0.00 C ATOM 142 C TYR A 10 -6.005 -3.762 -8.215 1.00 0.00 C ATOM 143 O TYR A 10 -4.956 -3.529 -7.592 1.00 0.00 O ATOM 144 CB TYR A 10 -6.251 -2.967 -10.639 1.00 0.00 C ATOM 145 CG TYR A 10 -6.893 -1.976 -11.620 1.00 0.00 C ATOM 146 CD1 TYR A 10 -8.212 -2.140 -12.054 1.00 0.00 C ATOM 147 CD2 TYR A 10 -6.192 -0.861 -12.091 1.00 0.00 C ATOM 148 CE1 TYR A 10 -8.805 -1.231 -12.905 1.00 0.00 C ATOM 149 CE2 TYR A 10 -6.779 0.047 -12.949 1.00 0.00 C ATOM 150 CZ TYR A 10 -8.086 -0.142 -13.351 1.00 0.00 C ATOM 151 OH TYR A 10 -8.692 0.775 -14.191 1.00 0.00 O ATOM 0 H TYR A 10 -5.038 -1.348 -8.659 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.680 -2.685 -9.044 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.169 -2.941 -10.766 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.577 -3.976 -10.890 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.778 -2.996 -11.716 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.170 -0.707 -11.777 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.828 -1.371 -13.221 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.219 0.900 -13.304 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.054 1.485 -14.415 1.00 0.00 H new ATOM 161 N PRO A 11 -6.663 -4.965 -8.080 1.00 0.00 N ATOM 162 CA PRO A 11 -6.119 -6.068 -7.266 1.00 0.00 C ATOM 163 C PRO A 11 -4.930 -6.741 -7.974 1.00 0.00 C ATOM 164 O PRO A 11 -5.107 -7.556 -8.893 1.00 0.00 O ATOM 165 CB PRO A 11 -7.323 -7.019 -7.098 1.00 0.00 C ATOM 166 CG PRO A 11 -8.146 -6.803 -8.333 1.00 0.00 C ATOM 167 CD PRO A 11 -7.972 -5.344 -8.704 1.00 0.00 C ATOM 0 HA PRO A 11 -5.719 -5.743 -6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.000 -8.057 -7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.890 -6.786 -6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.813 -7.453 -9.142 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.195 -7.036 -8.148 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.953 -5.207 -9.785 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.789 -4.734 -8.319 1.00 0.00 H new ATOM 175 N PHE A 12 -3.712 -6.342 -7.581 1.00 0.00 N ATOM 176 CA PHE A 12 -2.474 -6.867 -8.177 1.00 0.00 C ATOM 177 C PHE A 12 -2.025 -8.095 -7.366 1.00 0.00 C ATOM 178 O PHE A 12 -1.469 -7.964 -6.268 1.00 0.00 O ATOM 179 CB PHE A 12 -1.378 -5.761 -8.214 1.00 0.00 C ATOM 180 CG PHE A 12 -1.782 -4.486 -8.967 1.00 0.00 C ATOM 181 CD1 PHE A 12 -2.274 -4.552 -10.273 1.00 0.00 C ATOM 182 CD2 PHE A 12 -1.666 -3.223 -8.379 1.00 0.00 C ATOM 183 CE1 PHE A 12 -2.630 -3.403 -10.958 1.00 0.00 C ATOM 184 CE2 PHE A 12 -2.026 -2.077 -9.065 1.00 0.00 C ATOM 185 CZ PHE A 12 -2.510 -2.168 -10.356 1.00 0.00 C ATOM 0 H PHE A 12 -3.557 -5.651 -6.847 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.649 -7.172 -9.209 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.115 -5.495 -7.190 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.481 -6.172 -8.677 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.378 -5.513 -10.755 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.288 -3.140 -7.371 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.004 -3.474 -11.969 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.929 -1.111 -8.592 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.794 -1.274 -10.892 1.00 0.00 H new ATOM 195 N SER A 13 -2.328 -9.291 -7.902 1.00 0.00 N ATOM 196 CA SER A 13 -2.007 -10.577 -7.270 1.00 0.00 C ATOM 197 C SER A 13 -0.707 -11.132 -7.856 1.00 0.00 C ATOM 198 O SER A 13 -0.707 -12.031 -8.712 1.00 0.00 O ATOM 199 CB SER A 13 -3.191 -11.562 -7.441 1.00 0.00 C ATOM 200 OG SER A 13 -4.383 -11.034 -6.879 1.00 0.00 O ATOM 0 H SER A 13 -2.808 -9.389 -8.797 1.00 0.00 H new ATOM 0 HA SER A 13 -1.853 -10.435 -6.200 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.346 -11.769 -8.500 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.950 -12.511 -6.963 1.00 0.00 H new ATOM 0 HG SER A 13 -5.114 -11.675 -7.002 1.00 0.00 H new ATOM 206 N GLY A 14 0.402 -10.533 -7.414 1.00 0.00 N ATOM 207 CA GLY A 14 1.743 -10.954 -7.795 1.00 0.00 C ATOM 208 C GLY A 14 2.650 -11.018 -6.577 1.00 0.00 C ATOM 209 O GLY A 14 2.425 -10.284 -5.598 1.00 0.00 O ATOM 0 H GLY A 14 0.389 -9.737 -6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.700 -11.932 -8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.155 -10.258 -8.526 1.00 0.00 H new ATOM 213 N GLU A 15 3.689 -11.876 -6.659 1.00 0.00 N ATOM 214 CA GLU A 15 4.626 -12.152 -5.556 1.00 0.00 C ATOM 215 C GLU A 15 3.854 -12.642 -4.309 1.00 0.00 C ATOM 216 O GLU A 15 3.669 -11.919 -3.325 1.00 0.00 O ATOM 217 CB GLU A 15 5.549 -10.931 -5.240 1.00 0.00 C ATOM 218 CG GLU A 15 6.623 -10.606 -6.305 1.00 0.00 C ATOM 219 CD GLU A 15 6.053 -10.284 -7.701 1.00 0.00 C ATOM 220 OE1 GLU A 15 5.407 -9.232 -7.858 1.00 0.00 O ATOM 221 OE2 GLU A 15 6.219 -11.096 -8.644 1.00 0.00 O ATOM 0 H GLU A 15 3.901 -12.402 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 15 5.294 -12.952 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.921 -10.050 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.050 -11.115 -4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.214 -9.757 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.303 -11.454 -6.389 1.00 0.00 H new ATOM 228 N ARG A 16 3.386 -13.892 -4.401 1.00 0.00 N ATOM 229 CA ARG A 16 2.659 -14.597 -3.318 1.00 0.00 C ATOM 230 C ARG A 16 3.655 -15.274 -2.352 1.00 0.00 C ATOM 231 O ARG A 16 3.352 -16.300 -1.727 1.00 0.00 O ATOM 232 CB ARG A 16 1.700 -15.639 -3.958 1.00 0.00 C ATOM 233 CG ARG A 16 0.566 -15.014 -4.806 1.00 0.00 C ATOM 234 CD ARG A 16 -0.225 -16.066 -5.600 1.00 0.00 C ATOM 235 NE ARG A 16 0.597 -16.692 -6.654 1.00 0.00 N ATOM 236 CZ ARG A 16 0.127 -17.245 -7.783 1.00 0.00 C ATOM 237 NH1 ARG A 16 -1.176 -17.321 -8.013 1.00 0.00 N ATOM 238 NH2 ARG A 16 0.973 -17.723 -8.681 1.00 0.00 N ATOM 0 H ARG A 16 3.499 -14.459 -5.241 1.00 0.00 H new ATOM 0 HA ARG A 16 2.075 -13.884 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.281 -16.313 -4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.257 -16.244 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.115 -14.470 -4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.992 -14.287 -5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.591 -16.835 -4.920 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.100 -15.598 -6.052 1.00 0.00 H new ATOM 0 HE ARG A 16 1.607 -16.705 -6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.837 -16.956 -7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.518 -17.744 -8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.978 -17.670 -8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.620 -18.144 -9.540 1.00 0.00 H new ATOM 252 N HIS A 17 4.821 -14.628 -2.197 1.00 0.00 N ATOM 253 CA HIS A 17 5.990 -15.164 -1.503 1.00 0.00 C ATOM 254 C HIS A 17 7.013 -14.030 -1.303 1.00 0.00 C ATOM 255 O HIS A 17 6.962 -13.005 -2.011 1.00 0.00 O ATOM 256 CB HIS A 17 6.614 -16.333 -2.321 1.00 0.00 C ATOM 257 CG HIS A 17 7.122 -15.937 -3.698 1.00 0.00 C ATOM 258 ND1 HIS A 17 8.449 -15.638 -3.918 1.00 0.00 N ATOM 259 CD2 HIS A 17 6.444 -15.778 -4.871 1.00 0.00 C ATOM 260 CE1 HIS A 17 8.549 -15.310 -5.193 1.00 0.00 C ATOM 261 NE2 HIS A 17 7.361 -15.378 -5.809 1.00 0.00 N ATOM 0 H HIS A 17 4.976 -13.689 -2.565 1.00 0.00 H new ATOM 0 HA HIS A 17 5.694 -15.558 -0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.440 -16.758 -1.751 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.868 -17.119 -2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.388 -15.937 -5.030 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.471 -15.023 -5.678 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.174 -15.171 -6.790 1.00 0.00 H new ATOM 269 N GLY A 18 7.933 -14.220 -0.342 1.00 0.00 N ATOM 270 CA GLY A 18 9.023 -13.275 -0.096 1.00 0.00 C ATOM 271 C GLY A 18 8.555 -11.927 0.453 1.00 0.00 C ATOM 272 O GLY A 18 7.881 -11.872 1.489 1.00 0.00 O ATOM 0 H GLY A 18 7.938 -15.029 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.726 -13.720 0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.566 -13.110 -1.027 1.00 0.00 H new ATOM 276 N GLN A 19 8.910 -10.839 -0.259 1.00 0.00 N ATOM 277 CA GLN A 19 8.643 -9.443 0.174 1.00 0.00 C ATOM 278 C GLN A 19 7.331 -8.886 -0.422 1.00 0.00 C ATOM 279 O GLN A 19 7.015 -7.700 -0.237 1.00 0.00 O ATOM 280 CB GLN A 19 9.848 -8.554 -0.236 1.00 0.00 C ATOM 281 CG GLN A 19 11.180 -8.978 0.423 1.00 0.00 C ATOM 282 CD GLN A 19 12.406 -8.243 -0.113 1.00 0.00 C ATOM 283 OE1 GLN A 19 12.330 -7.085 -0.525 1.00 0.00 O ATOM 284 NE2 GLN A 19 13.550 -8.908 -0.105 1.00 0.00 N ATOM 0 H GLN A 19 9.393 -10.899 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 19 8.520 -9.436 1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.961 -8.587 -1.320 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.633 -7.519 0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.110 -8.809 1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.320 -10.049 0.277 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.580 -9.866 0.243 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.401 -8.462 -0.447 1.00 0.00 H new ATOM 293 N GLY A 20 6.578 -9.749 -1.128 1.00 0.00 N ATOM 294 CA GLY A 20 5.342 -9.343 -1.796 1.00 0.00 C ATOM 295 C GLY A 20 4.176 -9.166 -0.829 1.00 0.00 C ATOM 296 O GLY A 20 3.883 -10.071 -0.037 1.00 0.00 O ATOM 0 H GLY A 20 6.811 -10.735 -1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.513 -8.407 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.077 -10.090 -2.544 1.00 0.00 H new ATOM 300 N LEU A 21 3.529 -7.985 -0.870 1.00 0.00 N ATOM 301 CA LEU A 21 2.302 -7.707 -0.107 1.00 0.00 C ATOM 302 C LEU A 21 1.101 -7.721 -1.073 1.00 0.00 C ATOM 303 O LEU A 21 1.048 -6.930 -2.021 1.00 0.00 O ATOM 304 CB LEU A 21 2.410 -6.348 0.646 1.00 0.00 C ATOM 305 CG LEU A 21 1.142 -5.888 1.441 1.00 0.00 C ATOM 306 CD1 LEU A 21 0.747 -6.912 2.532 1.00 0.00 C ATOM 307 CD2 LEU A 21 1.338 -4.468 2.043 1.00 0.00 C ATOM 0 H LEU A 21 3.845 -7.197 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 21 2.160 -8.478 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.246 -6.409 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.657 -5.574 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 21 0.316 -5.837 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.137 -6.557 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.530 -7.874 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.570 -7.028 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.440 -4.177 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.190 -4.476 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.521 -3.754 1.240 1.00 0.00 H new ATOM 319 N ARG A 22 0.171 -8.659 -0.836 1.00 0.00 N ATOM 320 CA ARG A 22 -1.054 -8.831 -1.639 1.00 0.00 C ATOM 321 C ARG A 22 -2.178 -7.929 -1.096 1.00 0.00 C ATOM 322 O ARG A 22 -2.242 -7.660 0.111 1.00 0.00 O ATOM 323 CB ARG A 22 -1.488 -10.315 -1.602 1.00 0.00 C ATOM 324 CG ARG A 22 -0.482 -11.295 -2.260 1.00 0.00 C ATOM 325 CD ARG A 22 -0.813 -12.764 -1.945 1.00 0.00 C ATOM 326 NE ARG A 22 -0.672 -13.050 -0.493 1.00 0.00 N ATOM 327 CZ ARG A 22 -1.675 -13.391 0.342 1.00 0.00 C ATOM 328 NH1 ARG A 22 -2.924 -13.468 -0.101 1.00 0.00 N ATOM 329 NH2 ARG A 22 -1.430 -13.625 1.629 1.00 0.00 N ATOM 0 H ARG A 22 0.248 -9.329 -0.071 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.853 -8.543 -2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.638 -10.611 -0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.451 -10.412 -2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.486 -11.147 -3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.525 -11.068 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.831 -12.986 -2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.151 -13.418 -2.513 1.00 0.00 H new ATOM 0 HE ARG A 22 0.264 -12.983 -0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.131 -13.269 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.676 -13.727 0.537 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.479 -13.547 1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.193 -13.882 2.255 1.00 0.00 H new ATOM 343 N PHE A 23 -3.062 -7.489 -2.001 1.00 0.00 N ATOM 344 CA PHE A 23 -4.167 -6.570 -1.684 1.00 0.00 C ATOM 345 C PHE A 23 -5.289 -6.671 -2.747 1.00 0.00 C ATOM 346 O PHE A 23 -5.039 -7.034 -3.905 1.00 0.00 O ATOM 347 CB PHE A 23 -3.631 -5.108 -1.559 1.00 0.00 C ATOM 348 CG PHE A 23 -2.736 -4.652 -2.718 1.00 0.00 C ATOM 349 CD1 PHE A 23 -3.268 -4.369 -3.980 1.00 0.00 C ATOM 350 CD2 PHE A 23 -1.354 -4.510 -2.547 1.00 0.00 C ATOM 351 CE1 PHE A 23 -2.461 -3.961 -5.015 1.00 0.00 C ATOM 352 CE2 PHE A 23 -0.547 -4.100 -3.591 1.00 0.00 C ATOM 353 CZ PHE A 23 -1.102 -3.827 -4.822 1.00 0.00 C ATOM 0 H PHE A 23 -3.031 -7.762 -2.983 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.598 -6.857 -0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.481 -4.429 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.070 -5.019 -0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.330 -4.473 -4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.912 -4.724 -1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.892 -3.745 -5.981 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.517 -3.994 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.471 -3.507 -5.638 1.00 0.00 H new ATOM 363 N ALA A 24 -6.517 -6.355 -2.323 1.00 0.00 N ATOM 364 CA ALA A 24 -7.697 -6.222 -3.202 1.00 0.00 C ATOM 365 C ALA A 24 -7.852 -4.766 -3.689 1.00 0.00 C ATOM 366 O ALA A 24 -7.148 -3.871 -3.208 1.00 0.00 O ATOM 367 CB ALA A 24 -8.957 -6.688 -2.452 1.00 0.00 C ATOM 0 H ALA A 24 -6.729 -6.180 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.559 -6.853 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.826 -6.589 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.841 -7.731 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.098 -6.075 -1.562 1.00 0.00 H new ATOM 373 N ALA A 25 -8.749 -4.545 -4.671 1.00 0.00 N ATOM 374 CA ALA A 25 -9.079 -3.195 -5.181 1.00 0.00 C ATOM 375 C ALA A 25 -9.666 -2.306 -4.066 1.00 0.00 C ATOM 376 O ALA A 25 -10.630 -2.700 -3.394 1.00 0.00 O ATOM 377 CB ALA A 25 -10.079 -3.294 -6.345 1.00 0.00 C ATOM 0 H ALA A 25 -9.265 -5.294 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.155 -2.738 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.313 -2.294 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.641 -3.882 -7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.993 -3.777 -5.999 1.00 0.00 H new ATOM 383 N GLY A 26 -9.055 -1.126 -3.865 1.00 0.00 N ATOM 384 CA GLY A 26 -9.557 -0.124 -2.918 1.00 0.00 C ATOM 385 C GLY A 26 -8.896 -0.177 -1.548 1.00 0.00 C ATOM 386 O GLY A 26 -9.183 0.685 -0.704 1.00 0.00 O ATOM 0 H GLY A 26 -8.205 -0.844 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.408 0.869 -3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.632 -0.261 -2.797 1.00 0.00 H new ATOM 390 N GLU A 27 -8.014 -1.184 -1.336 1.00 0.00 N ATOM 391 CA GLU A 27 -7.237 -1.359 -0.081 1.00 0.00 C ATOM 392 C GLU A 27 -6.487 -0.078 0.305 1.00 0.00 C ATOM 393 O GLU A 27 -5.666 0.439 -0.467 1.00 0.00 O ATOM 394 CB GLU A 27 -6.230 -2.545 -0.209 1.00 0.00 C ATOM 395 CG GLU A 27 -6.838 -3.943 0.029 1.00 0.00 C ATOM 396 CD GLU A 27 -6.996 -4.290 1.520 1.00 0.00 C ATOM 397 OE1 GLU A 27 -5.992 -4.673 2.149 1.00 0.00 O ATOM 398 OE2 GLU A 27 -8.116 -4.186 2.064 1.00 0.00 O ATOM 0 H GLU A 27 -7.820 -1.902 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.953 -1.585 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.789 -2.522 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.419 -2.392 0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.813 -3.995 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.206 -4.693 -0.447 1.00 0.00 H new ATOM 405 N LEU A 28 -6.814 0.442 1.500 1.00 0.00 N ATOM 406 CA LEU A 28 -6.134 1.604 2.071 1.00 0.00 C ATOM 407 C LEU A 28 -4.840 1.118 2.749 1.00 0.00 C ATOM 408 O LEU A 28 -4.863 0.589 3.867 1.00 0.00 O ATOM 409 CB LEU A 28 -7.079 2.335 3.061 1.00 0.00 C ATOM 410 CG LEU A 28 -8.422 2.852 2.436 1.00 0.00 C ATOM 411 CD1 LEU A 28 -9.380 3.410 3.512 1.00 0.00 C ATOM 412 CD2 LEU A 28 -8.166 3.885 1.303 1.00 0.00 C ATOM 0 H LEU A 28 -7.555 0.066 2.091 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.871 2.324 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.315 1.658 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.545 3.183 3.490 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.917 1.992 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.298 3.757 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.618 2.625 4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.902 4.242 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.119 4.220 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.623 4.740 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.576 3.420 0.513 1.00 0.00 H new ATOM 424 N ILE A 29 -3.722 1.285 2.026 1.00 0.00 N ATOM 425 CA ILE A 29 -2.385 0.875 2.461 1.00 0.00 C ATOM 426 C ILE A 29 -1.765 2.034 3.249 1.00 0.00 C ATOM 427 O ILE A 29 -1.475 3.101 2.683 1.00 0.00 O ATOM 428 CB ILE A 29 -1.478 0.485 1.224 1.00 0.00 C ATOM 429 CG1 ILE A 29 -2.146 -0.645 0.371 1.00 0.00 C ATOM 430 CG2 ILE A 29 -0.045 0.077 1.667 1.00 0.00 C ATOM 431 CD1 ILE A 29 -2.380 -1.964 1.099 1.00 0.00 C ATOM 0 H ILE A 29 -3.726 1.719 1.103 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.458 -0.010 3.093 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.384 1.372 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.104 -0.279 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.520 -0.837 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.547 -0.184 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.426 0.911 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.102 -0.783 2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.846 -2.677 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.426 -2.363 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.035 -1.796 1.954 1.00 0.00 H new ATOM 443 N THR A 30 -1.609 1.823 4.561 1.00 0.00 N ATOM 444 CA THR A 30 -1.082 2.830 5.476 1.00 0.00 C ATOM 445 C THR A 30 0.452 2.739 5.513 1.00 0.00 C ATOM 446 O THR A 30 1.011 1.778 6.049 1.00 0.00 O ATOM 447 CB THR A 30 -1.687 2.639 6.910 1.00 0.00 C ATOM 448 OG1 THR A 30 -3.126 2.666 6.824 1.00 0.00 O ATOM 449 CG2 THR A 30 -1.202 3.726 7.895 1.00 0.00 C ATOM 0 H THR A 30 -1.848 0.942 5.016 1.00 0.00 H new ATOM 0 HA THR A 30 -1.367 3.821 5.122 1.00 0.00 H new ATOM 0 HB THR A 30 -1.347 1.677 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.509 2.545 7.718 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.647 3.553 8.875 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.116 3.684 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.501 4.708 7.529 1.00 0.00 H new ATOM 457 N LEU A 31 1.109 3.736 4.895 1.00 0.00 N ATOM 458 CA LEU A 31 2.573 3.876 4.905 1.00 0.00 C ATOM 459 C LEU A 31 3.057 4.146 6.342 1.00 0.00 C ATOM 460 O LEU A 31 2.466 4.966 7.059 1.00 0.00 O ATOM 461 CB LEU A 31 3.013 5.026 3.951 1.00 0.00 C ATOM 462 CG LEU A 31 2.445 4.961 2.492 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.814 6.234 1.696 1.00 0.00 C ATOM 464 CD2 LEU A 31 2.902 3.671 1.758 1.00 0.00 C ATOM 0 H LEU A 31 0.634 4.472 4.371 1.00 0.00 H new ATOM 0 HA LEU A 31 3.024 2.950 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.713 5.975 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.102 5.030 3.896 1.00 0.00 H new ATOM 0 HG LEU A 31 1.358 4.919 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.408 6.163 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.396 7.109 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.899 6.329 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.489 3.661 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.990 3.649 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.548 2.797 2.304 1.00 0.00 H new ATOM 476 N LEU A 32 4.123 3.443 6.745 1.00 0.00 N ATOM 477 CA LEU A 32 4.683 3.533 8.102 1.00 0.00 C ATOM 478 C LEU A 32 5.462 4.842 8.254 1.00 0.00 C ATOM 479 O LEU A 32 5.288 5.581 9.226 1.00 0.00 O ATOM 480 CB LEU A 32 5.596 2.311 8.350 1.00 0.00 C ATOM 481 CG LEU A 32 4.883 0.924 8.240 1.00 0.00 C ATOM 482 CD1 LEU A 32 5.890 -0.233 8.346 1.00 0.00 C ATOM 483 CD2 LEU A 32 3.749 0.799 9.288 1.00 0.00 C ATOM 0 H LEU A 32 4.624 2.794 6.138 1.00 0.00 H new ATOM 0 HA LEU A 32 3.882 3.529 8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.418 2.339 7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.035 2.400 9.344 1.00 0.00 H new ATOM 0 HG LEU A 32 4.425 0.859 7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.362 -1.183 8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.620 -0.155 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.402 -0.183 9.307 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.269 -0.175 9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.167 0.899 10.290 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.012 1.585 9.122 1.00 0.00 H new ATOM 495 N GLN A 33 6.316 5.111 7.259 1.00 0.00 N ATOM 496 CA GLN A 33 7.089 6.358 7.137 1.00 0.00 C ATOM 497 C GLN A 33 7.133 6.757 5.658 1.00 0.00 C ATOM 498 O GLN A 33 6.919 5.914 4.772 1.00 0.00 O ATOM 499 CB GLN A 33 8.538 6.177 7.690 1.00 0.00 C ATOM 500 CG GLN A 33 8.613 5.878 9.204 1.00 0.00 C ATOM 501 CD GLN A 33 10.036 5.686 9.721 1.00 0.00 C ATOM 502 OE1 GLN A 33 10.689 6.640 10.147 1.00 0.00 O ATOM 503 NE2 GLN A 33 10.528 4.458 9.673 1.00 0.00 N ATOM 0 H GLN A 33 6.494 4.455 6.499 1.00 0.00 H new ATOM 0 HA GLN A 33 6.609 7.140 7.725 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.021 5.364 7.148 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.108 7.082 7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.144 6.696 9.751 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.034 4.979 9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.957 3.693 9.314 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.478 4.276 9.996 1.00 0.00 H new ATOM 512 N VAL A 34 7.407 8.040 5.395 1.00 0.00 N ATOM 513 CA VAL A 34 7.655 8.552 4.036 1.00 0.00 C ATOM 514 C VAL A 34 9.081 9.154 3.978 1.00 0.00 C ATOM 515 O VAL A 34 9.272 10.348 4.218 1.00 0.00 O ATOM 516 CB VAL A 34 6.540 9.590 3.563 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.217 8.860 3.186 1.00 0.00 C ATOM 518 CG2 VAL A 34 6.272 10.688 4.636 1.00 0.00 C ATOM 0 H VAL A 34 7.464 8.757 6.118 1.00 0.00 H new ATOM 0 HA VAL A 34 7.591 7.723 3.331 1.00 0.00 H new ATOM 0 HB VAL A 34 6.926 10.087 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.475 9.592 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.407 8.159 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.841 8.317 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.506 11.373 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.931 10.219 5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.192 11.241 4.828 1.00 0.00 H new ATOM 528 N PRO A 35 10.143 8.302 3.733 1.00 0.00 N ATOM 529 CA PRO A 35 11.535 8.783 3.565 1.00 0.00 C ATOM 530 C PRO A 35 11.717 9.512 2.213 1.00 0.00 C ATOM 531 O PRO A 35 10.832 9.468 1.341 1.00 0.00 O ATOM 532 CB PRO A 35 12.399 7.482 3.660 1.00 0.00 C ATOM 533 CG PRO A 35 11.450 6.410 4.124 1.00 0.00 C ATOM 534 CD PRO A 35 10.095 6.827 3.610 1.00 0.00 C ATOM 0 HA PRO A 35 11.824 9.518 4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.837 7.229 2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.224 7.608 4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.736 5.434 3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.450 6.328 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.938 6.511 2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.287 6.397 4.202 1.00 0.00 H new ATOM 542 N ASP A 36 12.873 10.179 2.058 1.00 0.00 N ATOM 543 CA ASP A 36 13.183 10.997 0.876 1.00 0.00 C ATOM 544 C ASP A 36 13.412 10.089 -0.349 1.00 0.00 C ATOM 545 O ASP A 36 14.487 9.504 -0.502 1.00 0.00 O ATOM 546 CB ASP A 36 14.423 11.897 1.147 1.00 0.00 C ATOM 547 CG ASP A 36 14.758 12.841 -0.025 1.00 0.00 C ATOM 548 OD1 ASP A 36 13.911 13.695 -0.360 1.00 0.00 O ATOM 549 OD2 ASP A 36 15.863 12.744 -0.605 1.00 0.00 O ATOM 0 H ASP A 36 13.620 10.165 2.752 1.00 0.00 H new ATOM 0 HA ASP A 36 12.336 11.650 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.244 12.491 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.286 11.263 1.352 1.00 0.00 H new ATOM 554 N GLY A 37 12.354 9.925 -1.161 1.00 0.00 N ATOM 555 CA GLY A 37 12.408 9.125 -2.387 1.00 0.00 C ATOM 556 C GLY A 37 11.040 8.577 -2.765 1.00 0.00 C ATOM 557 O GLY A 37 10.072 8.713 -2.002 1.00 0.00 O ATOM 0 H GLY A 37 11.441 10.344 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.793 9.736 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.106 8.299 -2.251 1.00 0.00 H new ATOM 561 N GLY A 38 10.969 7.943 -3.949 1.00 0.00 N ATOM 562 CA GLY A 38 9.717 7.387 -4.482 1.00 0.00 C ATOM 563 C GLY A 38 9.501 5.925 -4.102 1.00 0.00 C ATOM 564 O GLY A 38 8.862 5.173 -4.846 1.00 0.00 O ATOM 0 H GLY A 38 11.775 7.803 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.879 7.979 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.720 7.477 -5.568 1.00 0.00 H new ATOM 568 N TRP A 39 10.054 5.521 -2.948 1.00 0.00 N ATOM 569 CA TRP A 39 9.904 4.167 -2.375 1.00 0.00 C ATOM 570 C TRP A 39 9.412 4.314 -0.933 1.00 0.00 C ATOM 571 O TRP A 39 10.111 4.896 -0.102 1.00 0.00 O ATOM 572 CB TRP A 39 11.263 3.406 -2.395 1.00 0.00 C ATOM 573 CG TRP A 39 11.750 3.019 -3.769 1.00 0.00 C ATOM 574 CD1 TRP A 39 12.460 3.790 -4.644 1.00 0.00 C ATOM 575 CD2 TRP A 39 11.551 1.756 -4.418 1.00 0.00 C ATOM 576 NE1 TRP A 39 12.708 3.089 -5.795 1.00 0.00 N ATOM 577 CE2 TRP A 39 12.168 1.835 -5.677 1.00 0.00 C ATOM 578 CE3 TRP A 39 10.917 0.560 -4.047 1.00 0.00 C ATOM 579 CZ2 TRP A 39 12.164 0.771 -6.577 1.00 0.00 C ATOM 580 CZ3 TRP A 39 10.917 -0.496 -4.938 1.00 0.00 C ATOM 581 CH2 TRP A 39 11.541 -0.386 -6.191 1.00 0.00 C ATOM 0 H TRP A 39 10.630 6.136 -2.373 1.00 0.00 H new ATOM 0 HA TRP A 39 9.190 3.594 -2.967 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.020 4.029 -1.919 1.00 0.00 H new ATOM 0 HB3 TRP A 39 11.167 2.504 -1.791 1.00 0.00 H new ATOM 0 HD1 TRP A 39 12.780 4.804 -4.456 1.00 0.00 H new ATOM 0 HE1 TRP A 39 13.213 3.443 -6.608 1.00 0.00 H new ATOM 0 HE3 TRP A 39 10.438 0.467 -3.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.636 0.856 -7.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 10.429 -1.421 -4.666 1.00 0.00 H new ATOM 0 HH2 TRP A 39 11.529 -1.231 -6.864 1.00 0.00 H new ATOM 592 N TRP A 40 8.207 3.807 -0.646 1.00 0.00 N ATOM 593 CA TRP A 40 7.610 3.854 0.700 1.00 0.00 C ATOM 594 C TRP A 40 7.146 2.449 1.091 1.00 0.00 C ATOM 595 O TRP A 40 6.609 1.711 0.253 1.00 0.00 O ATOM 596 CB TRP A 40 6.414 4.850 0.742 1.00 0.00 C ATOM 597 CG TRP A 40 6.747 6.270 0.321 1.00 0.00 C ATOM 598 CD1 TRP A 40 7.813 7.029 0.728 1.00 0.00 C ATOM 599 CD2 TRP A 40 5.991 7.104 -0.571 1.00 0.00 C ATOM 600 NE1 TRP A 40 7.771 8.265 0.139 1.00 0.00 N ATOM 601 CE2 TRP A 40 6.659 8.338 -0.660 1.00 0.00 C ATOM 602 CE3 TRP A 40 4.812 6.921 -1.303 1.00 0.00 C ATOM 603 CZ2 TRP A 40 6.193 9.384 -1.453 1.00 0.00 C ATOM 604 CZ3 TRP A 40 4.346 7.960 -2.087 1.00 0.00 C ATOM 605 CH2 TRP A 40 5.032 9.180 -2.155 1.00 0.00 C ATOM 0 H TRP A 40 7.615 3.351 -1.340 1.00 0.00 H new ATOM 0 HA TRP A 40 8.360 4.203 1.410 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.622 4.471 0.095 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.014 4.872 1.756 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.578 6.699 1.416 1.00 0.00 H new ATOM 0 HE1 TRP A 40 8.455 9.010 0.273 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.276 5.985 -1.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.726 10.321 -1.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.438 7.829 -2.657 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.639 9.975 -2.772 1.00 0.00 H new ATOM 616 N GLU A 41 7.372 2.078 2.360 1.00 0.00 N ATOM 617 CA GLU A 41 6.906 0.804 2.904 1.00 0.00 C ATOM 618 C GLU A 41 5.522 1.012 3.526 1.00 0.00 C ATOM 619 O GLU A 41 5.358 1.818 4.455 1.00 0.00 O ATOM 620 CB GLU A 41 7.896 0.247 3.953 1.00 0.00 C ATOM 621 CG GLU A 41 7.446 -1.083 4.594 1.00 0.00 C ATOM 622 CD GLU A 41 8.446 -1.654 5.612 1.00 0.00 C ATOM 623 OE1 GLU A 41 8.786 -0.945 6.583 1.00 0.00 O ATOM 624 OE2 GLU A 41 8.882 -2.820 5.461 1.00 0.00 O ATOM 0 H GLU A 41 7.881 2.653 3.031 1.00 0.00 H new ATOM 0 HA GLU A 41 6.843 0.072 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.867 0.101 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.033 0.990 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.487 -0.930 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.285 -1.819 3.806 1.00 0.00 H new ATOM 631 N GLY A 42 4.533 0.290 2.987 1.00 0.00 N ATOM 632 CA GLY A 42 3.161 0.337 3.459 1.00 0.00 C ATOM 633 C GLY A 42 2.772 -0.953 4.137 1.00 0.00 C ATOM 634 O GLY A 42 3.090 -2.037 3.641 1.00 0.00 O ATOM 0 H GLY A 42 4.673 -0.347 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.042 1.167 4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.491 0.526 2.620 1.00 0.00 H new ATOM 638 N GLU A 43 2.088 -0.834 5.277 1.00 0.00 N ATOM 639 CA GLU A 43 1.602 -1.979 6.040 1.00 0.00 C ATOM 640 C GLU A 43 0.098 -2.144 5.832 1.00 0.00 C ATOM 641 O GLU A 43 -0.646 -1.156 5.745 1.00 0.00 O ATOM 642 CB GLU A 43 1.933 -1.789 7.537 1.00 0.00 C ATOM 643 CG GLU A 43 1.671 -3.018 8.435 1.00 0.00 C ATOM 644 CD GLU A 43 2.166 -2.820 9.880 1.00 0.00 C ATOM 645 OE1 GLU A 43 3.377 -2.995 10.132 1.00 0.00 O ATOM 646 OE2 GLU A 43 1.347 -2.488 10.766 1.00 0.00 O ATOM 0 H GLU A 43 1.856 0.066 5.697 1.00 0.00 H new ATOM 0 HA GLU A 43 2.097 -2.884 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.983 -1.512 7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.349 -0.951 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.602 -3.231 8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.164 -3.889 8.003 1.00 0.00 H new ATOM 653 N LYS A 44 -0.313 -3.401 5.733 1.00 0.00 N ATOM 654 CA LYS A 44 -1.710 -3.812 5.587 1.00 0.00 C ATOM 655 C LYS A 44 -2.307 -4.126 6.982 1.00 0.00 C ATOM 656 O LYS A 44 -1.564 -4.377 7.936 1.00 0.00 O ATOM 657 CB LYS A 44 -1.730 -5.052 4.655 1.00 0.00 C ATOM 658 CG LYS A 44 -3.119 -5.623 4.305 1.00 0.00 C ATOM 659 CD LYS A 44 -3.019 -6.811 3.316 1.00 0.00 C ATOM 660 CE LYS A 44 -4.371 -7.479 3.025 1.00 0.00 C ATOM 661 NZ LYS A 44 -4.245 -8.523 1.983 1.00 0.00 N ATOM 0 H LYS A 44 0.333 -4.190 5.752 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.320 -3.022 5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.224 -4.789 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.144 -5.842 5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.618 -5.950 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.736 -4.837 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.587 -6.459 2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.334 -7.556 3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.764 -7.922 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.089 -6.725 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.162 -8.654 1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.533 -8.231 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.951 -9.418 2.423 1.00 0.00 H new ATOM 675 N GLU A 45 -3.652 -4.118 7.080 1.00 0.00 N ATOM 676 CA GLU A 45 -4.410 -4.490 8.308 1.00 0.00 C ATOM 677 C GLU A 45 -4.062 -5.924 8.794 1.00 0.00 C ATOM 678 O GLU A 45 -4.220 -6.256 9.978 1.00 0.00 O ATOM 679 CB GLU A 45 -5.927 -4.379 8.010 1.00 0.00 C ATOM 680 CG GLU A 45 -6.409 -5.269 6.839 1.00 0.00 C ATOM 681 CD GLU A 45 -7.889 -5.069 6.493 1.00 0.00 C ATOM 682 OE1 GLU A 45 -8.754 -5.683 7.147 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.199 -4.286 5.565 1.00 0.00 O ATOM 0 H GLU A 45 -4.256 -3.851 6.303 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.130 -3.805 9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.483 -4.647 8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.167 -3.340 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.805 -5.055 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.241 -6.315 7.094 1.00 0.00 H new ATOM 690 N ASP A 46 -3.598 -6.754 7.839 1.00 0.00 N ATOM 691 CA ASP A 46 -3.115 -8.128 8.071 1.00 0.00 C ATOM 692 C ASP A 46 -1.904 -8.161 9.039 1.00 0.00 C ATOM 693 O ASP A 46 -1.783 -9.076 9.870 1.00 0.00 O ATOM 694 CB ASP A 46 -2.744 -8.746 6.699 1.00 0.00 C ATOM 695 CG ASP A 46 -2.038 -10.109 6.792 1.00 0.00 C ATOM 696 OD1 ASP A 46 -2.722 -11.142 6.941 1.00 0.00 O ATOM 697 OD2 ASP A 46 -0.797 -10.146 6.727 1.00 0.00 O ATOM 0 H ASP A 46 -3.548 -6.479 6.858 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.904 -8.710 8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.652 -8.859 6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.098 -8.051 6.163 1.00 0.00 H new ATOM 702 N GLY A 47 -1.034 -7.141 8.938 1.00 0.00 N ATOM 703 CA GLY A 47 0.191 -7.054 9.745 1.00 0.00 C ATOM 704 C GLY A 47 1.450 -7.218 8.909 1.00 0.00 C ATOM 705 O GLY A 47 2.537 -6.816 9.345 1.00 0.00 O ATOM 0 H GLY A 47 -1.161 -6.358 8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.219 -6.091 10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.169 -7.822 10.518 1.00 0.00 H new ATOM 709 N LEU A 48 1.314 -7.817 7.707 1.00 0.00 N ATOM 710 CA LEU A 48 2.433 -7.919 6.747 1.00 0.00 C ATOM 711 C LEU A 48 2.616 -6.549 6.078 1.00 0.00 C ATOM 712 O LEU A 48 1.635 -5.907 5.672 1.00 0.00 O ATOM 713 CB LEU A 48 2.182 -9.058 5.698 1.00 0.00 C ATOM 714 CG LEU A 48 3.422 -9.600 4.874 1.00 0.00 C ATOM 715 CD1 LEU A 48 3.830 -8.674 3.702 1.00 0.00 C ATOM 716 CD2 LEU A 48 4.627 -9.892 5.801 1.00 0.00 C ATOM 0 H LEU A 48 0.444 -8.236 7.379 1.00 0.00 H new ATOM 0 HA LEU A 48 3.350 -8.189 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.736 -9.903 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.440 -8.698 4.986 1.00 0.00 H new ATOM 0 HG LEU A 48 3.098 -10.538 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.685 -9.103 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.994 -8.574 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.099 -7.692 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.462 -10.262 5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.923 -8.976 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.345 -10.644 6.538 1.00 0.00 H new ATOM 728 N ARG A 49 3.871 -6.115 5.996 1.00 0.00 N ATOM 729 CA ARG A 49 4.268 -4.840 5.387 1.00 0.00 C ATOM 730 C ARG A 49 5.212 -5.110 4.201 1.00 0.00 C ATOM 731 O ARG A 49 6.066 -6.010 4.273 1.00 0.00 O ATOM 732 CB ARG A 49 4.951 -3.938 6.453 1.00 0.00 C ATOM 733 CG ARG A 49 6.133 -4.598 7.196 1.00 0.00 C ATOM 734 CD ARG A 49 6.775 -3.663 8.223 1.00 0.00 C ATOM 735 NE ARG A 49 7.888 -4.296 8.955 1.00 0.00 N ATOM 736 CZ ARG A 49 9.009 -3.667 9.346 1.00 0.00 C ATOM 737 NH1 ARG A 49 9.267 -2.422 8.960 1.00 0.00 N ATOM 738 NH2 ARG A 49 9.886 -4.303 10.099 1.00 0.00 N ATOM 0 H ARG A 49 4.661 -6.649 6.358 1.00 0.00 H new ATOM 0 HA ARG A 49 3.387 -4.317 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.307 -3.030 5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.203 -3.635 7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.784 -5.500 7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.886 -4.908 6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.141 -2.770 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.017 -3.337 8.935 1.00 0.00 H new ATOM 0 HE ARG A 49 7.800 -5.287 9.182 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.609 -1.928 8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.123 -1.960 9.267 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.711 -5.267 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.739 -3.830 10.399 1.00 0.00 H new ATOM 752 N GLY A 50 5.038 -4.352 3.105 1.00 0.00 N ATOM 753 CA GLY A 50 5.888 -4.477 1.923 1.00 0.00 C ATOM 754 C GLY A 50 6.355 -3.129 1.412 1.00 0.00 C ATOM 755 O GLY A 50 5.653 -2.120 1.560 1.00 0.00 O ATOM 0 H GLY A 50 4.309 -3.643 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.754 -5.093 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.339 -4.993 1.135 1.00 0.00 H new ATOM 759 N TRP A 51 7.541 -3.132 0.791 1.00 0.00 N ATOM 760 CA TRP A 51 8.110 -1.971 0.100 1.00 0.00 C ATOM 761 C TRP A 51 7.522 -1.891 -1.300 1.00 0.00 C ATOM 762 O TRP A 51 7.505 -2.898 -2.011 1.00 0.00 O ATOM 763 CB TRP A 51 9.665 -2.087 0.030 1.00 0.00 C ATOM 764 CG TRP A 51 10.368 -1.586 1.265 1.00 0.00 C ATOM 765 CD1 TRP A 51 10.710 -2.286 2.388 1.00 0.00 C ATOM 766 CD2 TRP A 51 10.803 -0.244 1.481 1.00 0.00 C ATOM 767 NE1 TRP A 51 11.346 -1.455 3.280 1.00 0.00 N ATOM 768 CE2 TRP A 51 11.414 -0.195 2.744 1.00 0.00 C ATOM 769 CE3 TRP A 51 10.736 0.918 0.707 1.00 0.00 C ATOM 770 CZ2 TRP A 51 11.953 0.979 3.261 1.00 0.00 C ATOM 771 CZ3 TRP A 51 11.269 2.084 1.223 1.00 0.00 C ATOM 772 CH2 TRP A 51 11.875 2.108 2.485 1.00 0.00 C ATOM 0 H TRP A 51 8.141 -3.956 0.755 1.00 0.00 H new ATOM 0 HA TRP A 51 7.863 -1.064 0.651 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.935 -3.130 -0.133 1.00 0.00 H new ATOM 0 HB3 TRP A 51 10.023 -1.527 -0.833 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.511 -3.335 2.550 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.708 -1.731 4.193 1.00 0.00 H new ATOM 0 HE3 TRP A 51 10.278 0.905 -0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 12.416 1.001 4.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 11.217 2.993 0.642 1.00 0.00 H new ATOM 0 HH2 TRP A 51 12.290 3.034 2.855 1.00 0.00 H new ATOM 783 N PHE A 52 7.024 -0.703 -1.688 1.00 0.00 N ATOM 784 CA PHE A 52 6.488 -0.460 -3.042 1.00 0.00 C ATOM 785 C PHE A 52 6.896 0.932 -3.564 1.00 0.00 C ATOM 786 O PHE A 52 7.133 1.849 -2.767 1.00 0.00 O ATOM 787 CB PHE A 52 4.927 -0.614 -3.081 1.00 0.00 C ATOM 788 CG PHE A 52 4.417 -2.039 -2.882 1.00 0.00 C ATOM 789 CD1 PHE A 52 4.854 -3.073 -3.715 1.00 0.00 C ATOM 790 CD2 PHE A 52 3.493 -2.346 -1.883 1.00 0.00 C ATOM 791 CE1 PHE A 52 4.388 -4.363 -3.550 1.00 0.00 C ATOM 792 CE2 PHE A 52 3.030 -3.633 -1.722 1.00 0.00 C ATOM 793 CZ PHE A 52 3.478 -4.644 -2.552 1.00 0.00 C ATOM 0 H PHE A 52 6.981 0.112 -1.076 1.00 0.00 H new ATOM 0 HA PHE A 52 6.922 -1.216 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.494 0.022 -2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.564 -0.244 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.566 -2.860 -4.499 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.136 -1.565 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.736 -5.151 -4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.314 -3.854 -0.944 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.116 -5.653 -2.419 1.00 0.00 H new ATOM 803 N PRO A 53 7.015 1.092 -4.934 1.00 0.00 N ATOM 804 CA PRO A 53 7.159 2.417 -5.582 1.00 0.00 C ATOM 805 C PRO A 53 5.889 3.288 -5.413 1.00 0.00 C ATOM 806 O PRO A 53 4.788 2.765 -5.188 1.00 0.00 O ATOM 807 CB PRO A 53 7.411 2.074 -7.085 1.00 0.00 C ATOM 808 CG PRO A 53 7.826 0.635 -7.089 1.00 0.00 C ATOM 809 CD PRO A 53 7.069 -0.001 -5.949 1.00 0.00 C ATOM 0 HA PRO A 53 7.964 3.004 -5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.511 2.227 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.187 2.710 -7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.582 0.158 -8.038 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.903 0.536 -6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.072 -0.319 -6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.582 -0.883 -5.566 1.00 0.00 H new ATOM 817 N ALA A 54 6.066 4.616 -5.562 1.00 0.00 N ATOM 818 CA ALA A 54 4.997 5.619 -5.371 1.00 0.00 C ATOM 819 C ALA A 54 3.896 5.499 -6.449 1.00 0.00 C ATOM 820 O ALA A 54 2.710 5.679 -6.162 1.00 0.00 O ATOM 821 CB ALA A 54 5.610 7.036 -5.380 1.00 0.00 C ATOM 0 H ALA A 54 6.963 5.027 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 54 4.525 5.432 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.821 7.775 -5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.337 7.123 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.105 7.212 -6.335 1.00 0.00 H new ATOM 827 N SER A 55 4.321 5.179 -7.688 1.00 0.00 N ATOM 828 CA SER A 55 3.430 5.092 -8.872 1.00 0.00 C ATOM 829 C SER A 55 2.653 3.753 -8.907 1.00 0.00 C ATOM 830 O SER A 55 1.683 3.616 -9.664 1.00 0.00 O ATOM 831 CB SER A 55 4.267 5.270 -10.169 1.00 0.00 C ATOM 832 OG SER A 55 3.452 5.305 -11.337 1.00 0.00 O ATOM 0 H SER A 55 5.297 4.972 -7.901 1.00 0.00 H new ATOM 0 HA SER A 55 2.693 5.892 -8.803 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.844 6.193 -10.103 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.983 4.452 -10.252 1.00 0.00 H new ATOM 0 HG SER A 55 2.578 4.908 -11.138 1.00 0.00 H new ATOM 838 N TYR A 56 3.091 2.773 -8.093 1.00 0.00 N ATOM 839 CA TYR A 56 2.450 1.446 -8.001 1.00 0.00 C ATOM 840 C TYR A 56 1.092 1.550 -7.272 1.00 0.00 C ATOM 841 O TYR A 56 0.169 0.763 -7.526 1.00 0.00 O ATOM 842 CB TYR A 56 3.409 0.470 -7.271 1.00 0.00 C ATOM 843 CG TYR A 56 2.938 -0.994 -7.235 1.00 0.00 C ATOM 844 CD1 TYR A 56 2.966 -1.789 -8.384 1.00 0.00 C ATOM 845 CD2 TYR A 56 2.463 -1.582 -6.057 1.00 0.00 C ATOM 846 CE1 TYR A 56 2.550 -3.108 -8.355 1.00 0.00 C ATOM 847 CE2 TYR A 56 2.052 -2.898 -6.027 1.00 0.00 C ATOM 848 CZ TYR A 56 2.093 -3.656 -7.176 1.00 0.00 C ATOM 849 OH TYR A 56 1.676 -4.970 -7.141 1.00 0.00 O ATOM 0 H TYR A 56 3.900 2.879 -7.480 1.00 0.00 H new ATOM 0 HA TYR A 56 2.253 1.063 -9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.384 0.511 -7.756 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.547 0.817 -6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.319 -1.365 -9.313 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.417 -0.993 -5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.583 -3.706 -9.253 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.699 -3.333 -5.104 1.00 0.00 H new ATOM 0 HH TYR A 56 1.386 -5.197 -6.233 1.00 0.00 H new ATOM 859 N VAL A 57 0.998 2.539 -6.363 1.00 0.00 N ATOM 860 CA VAL A 57 -0.223 2.845 -5.591 1.00 0.00 C ATOM 861 C VAL A 57 -0.798 4.207 -6.037 1.00 0.00 C ATOM 862 O VAL A 57 -0.177 4.928 -6.828 1.00 0.00 O ATOM 863 CB VAL A 57 0.065 2.841 -4.038 1.00 0.00 C ATOM 864 CG1 VAL A 57 0.463 1.418 -3.547 1.00 0.00 C ATOM 865 CG2 VAL A 57 1.148 3.894 -3.663 1.00 0.00 C ATOM 0 H VAL A 57 1.779 3.157 -6.141 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.960 2.067 -5.790 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.856 3.122 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.656 1.444 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.350 0.721 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.362 1.091 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.324 3.867 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.075 3.665 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.804 4.888 -3.950 1.00 0.00 H new ATOM 875 N GLN A 58 -1.991 4.539 -5.526 1.00 0.00 N ATOM 876 CA GLN A 58 -2.699 5.799 -5.831 1.00 0.00 C ATOM 877 C GLN A 58 -2.784 6.657 -4.564 1.00 0.00 C ATOM 878 O GLN A 58 -3.250 6.185 -3.532 1.00 0.00 O ATOM 879 CB GLN A 58 -4.121 5.475 -6.362 1.00 0.00 C ATOM 880 CG GLN A 58 -5.009 6.683 -6.730 1.00 0.00 C ATOM 881 CD GLN A 58 -4.410 7.604 -7.789 1.00 0.00 C ATOM 882 OE1 GLN A 58 -4.569 7.377 -8.987 1.00 0.00 O ATOM 883 NE2 GLN A 58 -3.746 8.666 -7.352 1.00 0.00 N ATOM 0 H GLN A 58 -2.501 3.936 -4.881 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.155 6.354 -6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.020 4.844 -7.245 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.642 4.886 -5.607 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.971 6.316 -7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.204 7.264 -5.828 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.635 8.821 -6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.347 9.328 -8.018 1.00 0.00 H new ATOM 892 N LEU A 59 -2.323 7.910 -4.654 1.00 0.00 N ATOM 893 CA LEU A 59 -2.408 8.885 -3.551 1.00 0.00 C ATOM 894 C LEU A 59 -3.877 9.301 -3.329 1.00 0.00 C ATOM 895 O LEU A 59 -4.632 9.438 -4.305 1.00 0.00 O ATOM 896 CB LEU A 59 -1.512 10.116 -3.871 1.00 0.00 C ATOM 897 CG LEU A 59 -0.006 9.799 -4.176 1.00 0.00 C ATOM 898 CD1 LEU A 59 0.775 11.084 -4.546 1.00 0.00 C ATOM 899 CD2 LEU A 59 0.662 9.041 -2.997 1.00 0.00 C ATOM 0 H LEU A 59 -1.879 8.281 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.045 8.430 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.936 10.638 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.556 10.804 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 59 0.025 9.139 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.815 10.831 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.330 11.538 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.730 11.789 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.705 8.836 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.613 9.653 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.138 8.101 -2.826 1.00 0.00 H new ATOM 911 N LEU A 60 -4.281 9.459 -2.050 1.00 0.00 N ATOM 912 CA LEU A 60 -5.659 9.841 -1.677 1.00 0.00 C ATOM 913 C LEU A 60 -5.970 11.296 -2.132 1.00 0.00 C ATOM 914 O LEU A 60 -5.514 12.247 -1.466 1.00 0.00 O ATOM 915 CB LEU A 60 -5.886 9.675 -0.142 1.00 0.00 C ATOM 916 CG LEU A 60 -5.843 8.217 0.421 1.00 0.00 C ATOM 917 CD1 LEU A 60 -6.077 8.200 1.951 1.00 0.00 C ATOM 918 CD2 LEU A 60 -6.856 7.301 -0.303 1.00 0.00 C ATOM 919 OXT LEU A 60 -6.650 11.475 -3.161 1.00 0.00 O ATOM 0 H LEU A 60 -3.663 9.326 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.348 9.172 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.131 10.263 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.855 10.108 0.107 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.845 7.823 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.041 7.173 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.301 8.786 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.053 8.630 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.799 6.295 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.864 7.694 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.620 7.267 -1.367 1.00 0.00 H new