USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=9 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 -17:sc= 1.22 USER MOD Single : A 8 THR OG1 : rot 137:sc= 1.56 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -110:sc= 0.788 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.204 F(o=-0.95,f=-0.2) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.242 K(o=-0.24,f=-3.2!) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= 1.27 (180deg=1) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00167 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.449 X(o=-0.45,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 0.251 9.093 9.869 1.00 0.00 N ATOM 32 CA GLY A 3 0.953 8.895 8.600 1.00 0.00 C ATOM 33 C GLY A 3 0.021 9.119 7.419 1.00 0.00 C ATOM 34 O GLY A 3 -1.205 9.120 7.593 1.00 0.00 O ATOM 0 HA2 GLY A 3 1.797 9.582 8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.360 7.885 8.560 1.00 0.00 H new ATOM 38 N ALA A 4 0.597 9.282 6.213 1.00 0.00 N ATOM 39 CA ALA A 4 -0.172 9.560 4.989 1.00 0.00 C ATOM 40 C ALA A 4 -0.845 8.272 4.471 1.00 0.00 C ATOM 41 O ALA A 4 -0.188 7.241 4.310 1.00 0.00 O ATOM 42 CB ALA A 4 0.734 10.179 3.907 1.00 0.00 C ATOM 0 H ALA A 4 1.604 9.225 6.062 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.954 10.281 5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.147 10.377 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.157 11.113 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.540 9.486 3.667 1.00 0.00 H new ATOM 48 N ARG A 5 -2.162 8.351 4.250 1.00 0.00 N ATOM 49 CA ARG A 5 -2.964 7.260 3.670 1.00 0.00 C ATOM 50 C ARG A 5 -2.931 7.337 2.132 1.00 0.00 C ATOM 51 O ARG A 5 -2.685 8.399 1.551 1.00 0.00 O ATOM 52 CB ARG A 5 -4.429 7.335 4.188 1.00 0.00 C ATOM 53 CG ARG A 5 -5.120 8.694 3.940 1.00 0.00 C ATOM 54 CD ARG A 5 -6.598 8.720 4.354 1.00 0.00 C ATOM 55 NE ARG A 5 -7.204 10.041 4.108 1.00 0.00 N ATOM 56 CZ ARG A 5 -8.511 10.324 4.188 1.00 0.00 C ATOM 57 NH1 ARG A 5 -9.403 9.381 4.453 1.00 0.00 N ATOM 58 NH2 ARG A 5 -8.920 11.563 3.983 1.00 0.00 N ATOM 0 H ARG A 5 -2.710 9.182 4.470 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.537 6.306 3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.013 6.550 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.435 7.127 5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.585 9.469 4.488 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.044 8.942 2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -7.146 7.958 3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.685 8.469 5.411 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.575 10.804 3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.099 8.419 4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.394 9.617 4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.243 12.294 3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.913 11.789 4.042 1.00 0.00 H new ATOM 72 N CYS A 6 -3.197 6.198 1.492 1.00 0.00 N ATOM 73 CA CYS A 6 -3.236 6.062 0.033 1.00 0.00 C ATOM 74 C CYS A 6 -4.193 4.926 -0.334 1.00 0.00 C ATOM 75 O CYS A 6 -4.323 3.957 0.408 1.00 0.00 O ATOM 76 CB CYS A 6 -1.819 5.789 -0.533 1.00 0.00 C ATOM 77 SG CYS A 6 -1.053 4.262 0.061 1.00 0.00 S ATOM 0 H CYS A 6 -3.396 5.326 1.982 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.592 6.994 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.877 5.751 -1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.172 6.628 -0.277 1.00 0.00 H new ATOM 0 HG CYS A 6 -1.681 3.845 1.120 1.00 0.00 H new ATOM 83 N ARG A 7 -4.875 5.061 -1.470 1.00 0.00 N ATOM 84 CA ARG A 7 -5.810 4.053 -1.974 1.00 0.00 C ATOM 85 C ARG A 7 -5.161 3.335 -3.155 1.00 0.00 C ATOM 86 O ARG A 7 -4.752 3.978 -4.125 1.00 0.00 O ATOM 87 CB ARG A 7 -7.121 4.736 -2.438 1.00 0.00 C ATOM 88 CG ARG A 7 -8.205 3.770 -2.986 1.00 0.00 C ATOM 89 CD ARG A 7 -9.422 4.519 -3.560 1.00 0.00 C ATOM 90 NE ARG A 7 -10.474 3.603 -4.053 1.00 0.00 N ATOM 91 CZ ARG A 7 -11.379 3.901 -5.005 1.00 0.00 C ATOM 92 NH1 ARG A 7 -11.375 5.089 -5.610 1.00 0.00 N ATOM 93 NH2 ARG A 7 -12.289 3.008 -5.347 1.00 0.00 N ATOM 0 H ARG A 7 -4.794 5.880 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.045 3.339 -1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.541 5.291 -1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.879 5.464 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.769 3.142 -3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.534 3.106 -2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.841 5.167 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.095 5.164 -4.376 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.517 2.672 -3.639 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.679 5.789 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.068 5.298 -6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.305 2.096 -4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.976 3.230 -6.068 1.00 0.00 H new ATOM 107 N THR A 8 -5.098 2.007 -3.075 1.00 0.00 N ATOM 108 CA THR A 8 -4.550 1.159 -4.135 1.00 0.00 C ATOM 109 C THR A 8 -5.528 1.129 -5.319 1.00 0.00 C ATOM 110 O THR A 8 -6.745 1.102 -5.114 1.00 0.00 O ATOM 111 CB THR A 8 -4.322 -0.285 -3.589 1.00 0.00 C ATOM 112 OG1 THR A 8 -5.559 -0.772 -3.056 1.00 0.00 O ATOM 113 CG2 THR A 8 -3.244 -0.327 -2.484 1.00 0.00 C ATOM 0 H THR A 8 -5.429 1.483 -2.265 1.00 0.00 H new ATOM 0 HA THR A 8 -3.595 1.563 -4.470 1.00 0.00 H new ATOM 0 HB THR A 8 -3.974 -0.908 -4.413 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.695 -1.700 -3.341 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.120 -1.352 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.298 0.037 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.552 0.305 -1.651 1.00 0.00 H new ATOM 121 N LEU A 9 -5.006 1.171 -6.553 1.00 0.00 N ATOM 122 CA LEU A 9 -5.842 1.089 -7.759 1.00 0.00 C ATOM 123 C LEU A 9 -6.087 -0.390 -8.081 1.00 0.00 C ATOM 124 O LEU A 9 -7.163 -0.924 -7.809 1.00 0.00 O ATOM 125 CB LEU A 9 -5.187 1.818 -8.971 1.00 0.00 C ATOM 126 CG LEU A 9 -4.880 3.347 -8.803 1.00 0.00 C ATOM 127 CD1 LEU A 9 -3.607 3.599 -7.964 1.00 0.00 C ATOM 128 CD2 LEU A 9 -4.801 4.047 -10.185 1.00 0.00 C ATOM 0 H LEU A 9 -4.008 1.261 -6.742 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.789 1.593 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.252 1.309 -9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.843 1.697 -9.833 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.708 3.787 -8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.436 4.672 -7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.735 3.169 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.751 3.134 -8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.587 5.107 -10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.008 3.592 -10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.753 3.935 -10.705 1.00 0.00 H new ATOM 140 N TYR A 10 -5.039 -1.045 -8.609 1.00 0.00 N ATOM 141 CA TYR A 10 -5.042 -2.468 -8.971 1.00 0.00 C ATOM 142 C TYR A 10 -3.632 -3.032 -8.679 1.00 0.00 C ATOM 143 O TYR A 10 -2.694 -2.760 -9.438 1.00 0.00 O ATOM 144 CB TYR A 10 -5.422 -2.675 -10.464 1.00 0.00 C ATOM 145 CG TYR A 10 -6.890 -2.377 -10.801 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.894 -3.304 -10.513 1.00 0.00 C ATOM 147 CD2 TYR A 10 -7.275 -1.171 -11.404 1.00 0.00 C ATOM 148 CE1 TYR A 10 -9.218 -3.046 -10.814 1.00 0.00 C ATOM 149 CE2 TYR A 10 -8.600 -0.912 -11.704 1.00 0.00 C ATOM 150 CZ TYR A 10 -9.565 -1.851 -11.408 1.00 0.00 C ATOM 151 OH TYR A 10 -10.889 -1.595 -11.712 1.00 0.00 O ATOM 0 H TYR A 10 -4.148 -0.587 -8.799 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.792 -2.996 -8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.786 -2.037 -11.078 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.202 -3.706 -10.741 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.631 -4.241 -10.046 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.524 -0.431 -11.638 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.978 -3.778 -10.585 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.878 0.023 -12.169 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.964 -0.710 -12.125 1.00 0.00 H new ATOM 161 N PRO A 11 -3.446 -3.745 -7.522 1.00 0.00 N ATOM 162 CA PRO A 11 -2.146 -4.348 -7.136 1.00 0.00 C ATOM 163 C PRO A 11 -1.765 -5.543 -8.045 1.00 0.00 C ATOM 164 O PRO A 11 -2.310 -6.640 -7.900 1.00 0.00 O ATOM 165 CB PRO A 11 -2.380 -4.795 -5.653 1.00 0.00 C ATOM 166 CG PRO A 11 -3.624 -4.068 -5.238 1.00 0.00 C ATOM 167 CD PRO A 11 -4.466 -3.996 -6.478 1.00 0.00 C ATOM 0 HA PRO A 11 -1.313 -3.653 -7.243 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.507 -5.875 -5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.534 -4.529 -5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.143 -4.598 -4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.391 -3.072 -4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.013 -4.922 -6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.203 -3.195 -6.426 1.00 0.00 H new ATOM 175 N PHE A 12 -0.860 -5.298 -9.005 1.00 0.00 N ATOM 176 CA PHE A 12 -0.324 -6.343 -9.900 1.00 0.00 C ATOM 177 C PHE A 12 0.975 -6.924 -9.313 1.00 0.00 C ATOM 178 O PHE A 12 1.620 -6.300 -8.454 1.00 0.00 O ATOM 179 CB PHE A 12 -0.065 -5.767 -11.316 1.00 0.00 C ATOM 180 CG PHE A 12 -1.292 -5.125 -11.958 1.00 0.00 C ATOM 181 CD1 PHE A 12 -2.402 -5.897 -12.307 1.00 0.00 C ATOM 182 CD2 PHE A 12 -1.338 -3.756 -12.222 1.00 0.00 C ATOM 183 CE1 PHE A 12 -3.517 -5.313 -12.882 1.00 0.00 C ATOM 184 CE2 PHE A 12 -2.454 -3.177 -12.798 1.00 0.00 C ATOM 185 CZ PHE A 12 -3.539 -3.958 -13.137 1.00 0.00 C ATOM 0 H PHE A 12 -0.477 -4.370 -9.185 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.061 -7.141 -9.984 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.731 -5.025 -11.255 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.294 -6.568 -11.963 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.390 -6.962 -12.126 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.488 -3.138 -11.972 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.374 -5.921 -13.132 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.476 -2.113 -12.982 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.405 -3.509 -13.601 1.00 0.00 H new ATOM 195 N SER A 13 1.355 -8.112 -9.803 1.00 0.00 N ATOM 196 CA SER A 13 2.492 -8.883 -9.276 1.00 0.00 C ATOM 197 C SER A 13 3.104 -9.770 -10.381 1.00 0.00 C ATOM 198 O SER A 13 2.616 -9.795 -11.523 1.00 0.00 O ATOM 199 CB SER A 13 2.019 -9.735 -8.067 1.00 0.00 C ATOM 200 OG SER A 13 0.896 -10.537 -8.405 1.00 0.00 O ATOM 0 H SER A 13 0.880 -8.569 -10.581 1.00 0.00 H new ATOM 0 HA SER A 13 3.270 -8.198 -8.938 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.835 -10.373 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.762 -9.078 -7.236 1.00 0.00 H new ATOM 0 HG SER A 13 0.101 -10.198 -7.944 1.00 0.00 H new ATOM 206 N GLY A 14 4.190 -10.472 -10.030 1.00 0.00 N ATOM 207 CA GLY A 14 4.876 -11.387 -10.948 1.00 0.00 C ATOM 208 C GLY A 14 5.938 -12.195 -10.225 1.00 0.00 C ATOM 209 O GLY A 14 5.973 -13.424 -10.323 1.00 0.00 O ATOM 0 H GLY A 14 4.615 -10.421 -9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.150 -12.061 -11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.335 -10.819 -11.757 1.00 0.00 H new ATOM 213 N GLU A 15 6.814 -11.494 -9.478 1.00 0.00 N ATOM 214 CA GLU A 15 7.811 -12.143 -8.618 1.00 0.00 C ATOM 215 C GLU A 15 7.170 -12.455 -7.257 1.00 0.00 C ATOM 216 O GLU A 15 7.197 -11.634 -6.326 1.00 0.00 O ATOM 217 CB GLU A 15 9.086 -11.270 -8.450 1.00 0.00 C ATOM 218 CG GLU A 15 10.181 -11.949 -7.600 1.00 0.00 C ATOM 219 CD GLU A 15 11.461 -11.113 -7.444 1.00 0.00 C ATOM 220 OE1 GLU A 15 11.521 -10.261 -6.534 1.00 0.00 O ATOM 221 OE2 GLU A 15 12.409 -11.299 -8.235 1.00 0.00 O ATOM 0 H GLU A 15 6.847 -10.475 -9.456 1.00 0.00 H new ATOM 0 HA GLU A 15 8.131 -13.071 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.492 -11.038 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.811 -10.322 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.777 -12.164 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.438 -12.906 -8.054 1.00 0.00 H new ATOM 228 N ARG A 16 6.514 -13.619 -7.184 1.00 0.00 N ATOM 229 CA ARG A 16 5.926 -14.140 -5.948 1.00 0.00 C ATOM 230 C ARG A 16 6.877 -15.196 -5.381 1.00 0.00 C ATOM 231 O ARG A 16 6.928 -16.327 -5.880 1.00 0.00 O ATOM 232 CB ARG A 16 4.520 -14.741 -6.216 1.00 0.00 C ATOM 233 CG ARG A 16 3.495 -13.745 -6.806 1.00 0.00 C ATOM 234 CD ARG A 16 2.132 -14.404 -7.072 1.00 0.00 C ATOM 235 NE ARG A 16 1.175 -13.462 -7.682 1.00 0.00 N ATOM 236 CZ ARG A 16 0.090 -13.810 -8.390 1.00 0.00 C ATOM 237 NH1 ARG A 16 -0.182 -15.087 -8.643 1.00 0.00 N ATOM 238 NH2 ARG A 16 -0.701 -12.866 -8.870 1.00 0.00 N ATOM 0 H ARG A 16 6.376 -14.230 -7.989 1.00 0.00 H new ATOM 0 HA ARG A 16 5.795 -13.334 -5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.624 -15.583 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.125 -15.137 -5.281 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.365 -12.910 -6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.885 -13.333 -7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.266 -15.262 -7.730 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.722 -14.782 -6.135 1.00 0.00 H new ATOM 0 HE ARG A 16 1.352 -12.466 -7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.439 -15.819 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.011 -15.335 -9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.484 -11.884 -8.701 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.529 -13.120 -9.410 1.00 0.00 H new ATOM 252 N HIS A 17 7.671 -14.794 -4.382 1.00 0.00 N ATOM 253 CA HIS A 17 8.624 -15.677 -3.695 1.00 0.00 C ATOM 254 C HIS A 17 8.648 -15.307 -2.205 1.00 0.00 C ATOM 255 O HIS A 17 8.907 -14.146 -1.854 1.00 0.00 O ATOM 256 CB HIS A 17 10.036 -15.558 -4.331 1.00 0.00 C ATOM 257 CG HIS A 17 11.040 -16.550 -3.792 1.00 0.00 C ATOM 258 ND1 HIS A 17 10.986 -17.874 -4.154 1.00 0.00 N ATOM 259 CD2 HIS A 17 12.067 -16.376 -2.917 1.00 0.00 C ATOM 260 CE1 HIS A 17 11.968 -18.469 -3.507 1.00 0.00 C ATOM 261 NE2 HIS A 17 12.651 -17.606 -2.739 1.00 0.00 N ATOM 0 H HIS A 17 7.671 -13.839 -4.024 1.00 0.00 H new ATOM 0 HA HIS A 17 8.311 -16.716 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.950 -15.694 -5.409 1.00 0.00 H new ATOM 0 HB3 HIS A 17 10.413 -14.549 -4.166 1.00 0.00 H new ATOM 0 HD2 HIS A 17 12.366 -15.448 -2.452 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.195 -19.522 -3.585 1.00 0.00 H new ATOM 0 HE2 HIS A 17 13.448 -17.822 -2.140 1.00 0.00 H new ATOM 269 N GLY A 18 8.368 -16.300 -1.342 1.00 0.00 N ATOM 270 CA GLY A 18 8.247 -16.075 0.099 1.00 0.00 C ATOM 271 C GLY A 18 6.924 -15.402 0.465 1.00 0.00 C ATOM 272 O GLY A 18 5.895 -15.647 -0.184 1.00 0.00 O ATOM 0 H GLY A 18 8.222 -17.269 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.326 -17.028 0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.076 -15.454 0.440 1.00 0.00 H new ATOM 276 N GLN A 19 6.954 -14.546 1.500 1.00 0.00 N ATOM 277 CA GLN A 19 5.763 -13.840 2.016 1.00 0.00 C ATOM 278 C GLN A 19 5.629 -12.428 1.388 1.00 0.00 C ATOM 279 O GLN A 19 5.642 -11.403 2.090 1.00 0.00 O ATOM 280 CB GLN A 19 5.806 -13.788 3.573 1.00 0.00 C ATOM 281 CG GLN A 19 7.095 -13.192 4.179 1.00 0.00 C ATOM 282 CD GLN A 19 6.961 -12.898 5.661 1.00 0.00 C ATOM 283 OE1 GLN A 19 6.472 -11.717 5.984 1.00 0.00 O flip ATOM 284 NE2 GLN A 19 7.258 -13.735 6.505 1.00 0.00 N flip ATOM 0 H GLN A 19 7.810 -14.321 2.007 1.00 0.00 H new ATOM 0 HA GLN A 19 4.872 -14.396 1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.955 -13.204 3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.678 -14.800 3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.920 -13.887 4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.349 -12.273 3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.634 -14.638 6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.129 -13.528 7.496 1.00 0.00 H new ATOM 293 N GLY A 20 5.494 -12.393 0.046 1.00 0.00 N ATOM 294 CA GLY A 20 5.228 -11.142 -0.677 1.00 0.00 C ATOM 295 C GLY A 20 3.887 -10.528 -0.266 1.00 0.00 C ATOM 296 O GLY A 20 2.890 -11.252 -0.179 1.00 0.00 O ATOM 0 H GLY A 20 5.565 -13.216 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.030 -10.430 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.227 -11.334 -1.750 1.00 0.00 H new ATOM 300 N LEU A 21 3.853 -9.197 -0.058 1.00 0.00 N ATOM 301 CA LEU A 21 2.701 -8.508 0.558 1.00 0.00 C ATOM 302 C LEU A 21 1.662 -8.165 -0.522 1.00 0.00 C ATOM 303 O LEU A 21 1.926 -7.363 -1.422 1.00 0.00 O ATOM 304 CB LEU A 21 3.167 -7.210 1.285 1.00 0.00 C ATOM 305 CG LEU A 21 2.039 -6.352 1.955 1.00 0.00 C ATOM 306 CD1 LEU A 21 1.427 -7.068 3.174 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.538 -4.939 2.333 1.00 0.00 C ATOM 0 H LEU A 21 4.619 -8.572 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 21 2.247 -9.172 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.889 -7.487 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.693 -6.583 0.565 1.00 0.00 H new ATOM 0 HG LEU A 21 1.251 -6.232 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.649 -6.442 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.994 -8.017 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.204 -7.252 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.726 -4.378 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.367 -5.022 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.874 -4.420 1.436 1.00 0.00 H new ATOM 319 N ARG A 22 0.484 -8.799 -0.431 1.00 0.00 N ATOM 320 CA ARG A 22 -0.597 -8.640 -1.414 1.00 0.00 C ATOM 321 C ARG A 22 -1.644 -7.657 -0.881 1.00 0.00 C ATOM 322 O ARG A 22 -2.278 -7.916 0.141 1.00 0.00 O ATOM 323 CB ARG A 22 -1.250 -10.016 -1.698 1.00 0.00 C ATOM 324 CG ARG A 22 -0.250 -11.095 -2.163 1.00 0.00 C ATOM 325 CD ARG A 22 -0.903 -12.479 -2.345 1.00 0.00 C ATOM 326 NE ARG A 22 -1.572 -12.955 -1.113 1.00 0.00 N ATOM 327 CZ ARG A 22 -2.652 -13.755 -1.069 1.00 0.00 C ATOM 328 NH1 ARG A 22 -3.243 -14.174 -2.183 1.00 0.00 N ATOM 329 NH2 ARG A 22 -3.151 -14.118 0.103 1.00 0.00 N ATOM 0 H ARG A 22 0.254 -9.439 0.329 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.185 -8.245 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.751 -10.363 -0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.018 -9.893 -2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.200 -10.784 -3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.558 -11.173 -1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.631 -12.430 -3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.142 -13.200 -2.644 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.180 -12.650 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.878 -13.889 -3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.061 -14.781 -2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.716 -13.791 0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.970 -14.725 0.143 1.00 0.00 H new ATOM 343 N PHE A 23 -1.803 -6.533 -1.579 1.00 0.00 N ATOM 344 CA PHE A 23 -2.875 -5.557 -1.308 1.00 0.00 C ATOM 345 C PHE A 23 -4.147 -5.969 -2.073 1.00 0.00 C ATOM 346 O PHE A 23 -4.066 -6.701 -3.066 1.00 0.00 O ATOM 347 CB PHE A 23 -2.454 -4.127 -1.745 1.00 0.00 C ATOM 348 CG PHE A 23 -1.203 -3.574 -1.070 1.00 0.00 C ATOM 349 CD1 PHE A 23 -1.150 -3.415 0.313 1.00 0.00 C ATOM 350 CD2 PHE A 23 -0.092 -3.180 -1.820 1.00 0.00 C ATOM 351 CE1 PHE A 23 -0.034 -2.880 0.923 1.00 0.00 C ATOM 352 CE2 PHE A 23 1.026 -2.650 -1.205 1.00 0.00 C ATOM 353 CZ PHE A 23 1.055 -2.501 0.164 1.00 0.00 C ATOM 0 H PHE A 23 -1.193 -6.267 -2.352 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.067 -5.547 -0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.293 -4.128 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.283 -3.447 -1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.994 -3.715 0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.107 -3.291 -2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.012 -2.758 1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.878 -2.352 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.930 -2.088 0.644 1.00 0.00 H new ATOM 363 N ALA A 24 -5.311 -5.504 -1.598 1.00 0.00 N ATOM 364 CA ALA A 24 -6.584 -5.608 -2.339 1.00 0.00 C ATOM 365 C ALA A 24 -6.747 -4.356 -3.218 1.00 0.00 C ATOM 366 O ALA A 24 -6.144 -3.328 -2.925 1.00 0.00 O ATOM 367 CB ALA A 24 -7.769 -5.759 -1.357 1.00 0.00 C ATOM 0 H ALA A 24 -5.401 -5.045 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.573 -6.493 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.700 -5.834 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.633 -6.659 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.811 -4.890 -0.701 1.00 0.00 H new ATOM 373 N ALA A 25 -7.506 -4.459 -4.316 1.00 0.00 N ATOM 374 CA ALA A 25 -7.853 -3.296 -5.172 1.00 0.00 C ATOM 375 C ALA A 25 -8.855 -2.374 -4.451 1.00 0.00 C ATOM 376 O ALA A 25 -9.829 -2.858 -3.864 1.00 0.00 O ATOM 377 CB ALA A 25 -8.416 -3.774 -6.520 1.00 0.00 C ATOM 0 H ALA A 25 -7.900 -5.341 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.947 -2.722 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.666 -2.911 -7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.669 -4.381 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.313 -4.370 -6.349 1.00 0.00 H new ATOM 383 N GLY A 26 -8.594 -1.053 -4.486 1.00 0.00 N ATOM 384 CA GLY A 26 -9.445 -0.051 -3.817 1.00 0.00 C ATOM 385 C GLY A 26 -9.201 0.047 -2.309 1.00 0.00 C ATOM 386 O GLY A 26 -9.893 0.797 -1.616 1.00 0.00 O ATOM 0 H GLY A 26 -7.793 -0.653 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.269 0.925 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.492 -0.299 -3.992 1.00 0.00 H new ATOM 390 N GLU A 27 -8.185 -0.683 -1.822 1.00 0.00 N ATOM 391 CA GLU A 27 -7.888 -0.830 -0.381 1.00 0.00 C ATOM 392 C GLU A 27 -7.190 0.426 0.177 1.00 0.00 C ATOM 393 O GLU A 27 -6.327 1.016 -0.486 1.00 0.00 O ATOM 394 CB GLU A 27 -7.006 -2.094 -0.166 1.00 0.00 C ATOM 395 CG GLU A 27 -6.693 -2.463 1.296 1.00 0.00 C ATOM 396 CD GLU A 27 -7.945 -2.699 2.147 1.00 0.00 C ATOM 397 OE1 GLU A 27 -8.593 -3.754 1.989 1.00 0.00 O ATOM 398 OE2 GLU A 27 -8.303 -1.826 2.970 1.00 0.00 O ATOM 0 H GLU A 27 -7.537 -1.195 -2.421 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.826 -0.947 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.504 -2.943 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.063 -1.947 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.077 -3.362 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.103 -1.665 1.746 1.00 0.00 H new ATOM 405 N LEU A 28 -7.568 0.811 1.407 1.00 0.00 N ATOM 406 CA LEU A 28 -7.019 1.993 2.094 1.00 0.00 C ATOM 407 C LEU A 28 -5.800 1.571 2.930 1.00 0.00 C ATOM 408 O LEU A 28 -5.942 0.924 3.968 1.00 0.00 O ATOM 409 CB LEU A 28 -8.111 2.666 2.976 1.00 0.00 C ATOM 410 CG LEU A 28 -9.392 3.145 2.212 1.00 0.00 C ATOM 411 CD1 LEU A 28 -10.375 3.865 3.159 1.00 0.00 C ATOM 412 CD2 LEU A 28 -9.027 4.021 0.988 1.00 0.00 C ATOM 0 H LEU A 28 -8.266 0.309 1.956 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.698 2.730 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.413 1.961 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.668 3.524 3.481 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.900 2.259 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.253 4.185 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.680 3.184 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.887 4.736 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.939 4.336 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.475 4.900 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.410 3.444 0.299 1.00 0.00 H new ATOM 424 N ILE A 29 -4.603 1.902 2.427 1.00 0.00 N ATOM 425 CA ILE A 29 -3.305 1.534 3.021 1.00 0.00 C ATOM 426 C ILE A 29 -2.536 2.810 3.419 1.00 0.00 C ATOM 427 O ILE A 29 -2.427 3.732 2.620 1.00 0.00 O ATOM 428 CB ILE A 29 -2.456 0.697 1.979 1.00 0.00 C ATOM 429 CG1 ILE A 29 -3.204 -0.615 1.572 1.00 0.00 C ATOM 430 CG2 ILE A 29 -1.033 0.397 2.512 1.00 0.00 C ATOM 431 CD1 ILE A 29 -3.443 -1.593 2.710 1.00 0.00 C ATOM 0 H ILE A 29 -4.505 2.449 1.571 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.476 0.927 3.910 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.340 1.306 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.166 -0.347 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.629 -1.118 0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.480 -0.179 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.512 1.335 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.104 -0.176 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.967 -2.471 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.487 -1.897 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.047 -1.114 3.480 1.00 0.00 H new ATOM 443 N THR A 30 -2.024 2.863 4.653 1.00 0.00 N ATOM 444 CA THR A 30 -1.119 3.942 5.101 1.00 0.00 C ATOM 445 C THR A 30 0.346 3.533 4.824 1.00 0.00 C ATOM 446 O THR A 30 0.708 2.364 5.011 1.00 0.00 O ATOM 447 CB THR A 30 -1.329 4.238 6.623 1.00 0.00 C ATOM 448 OG1 THR A 30 -2.705 4.584 6.845 1.00 0.00 O ATOM 449 CG2 THR A 30 -0.420 5.369 7.147 1.00 0.00 C ATOM 0 H THR A 30 -2.220 2.166 5.371 1.00 0.00 H new ATOM 0 HA THR A 30 -1.346 4.853 4.547 1.00 0.00 H new ATOM 0 HB THR A 30 -1.059 3.336 7.173 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.846 4.770 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.612 5.528 8.208 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.624 5.092 7.005 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.630 6.288 6.599 1.00 0.00 H new ATOM 457 N LEU A 31 1.171 4.483 4.340 1.00 0.00 N ATOM 458 CA LEU A 31 2.614 4.254 4.136 1.00 0.00 C ATOM 459 C LEU A 31 3.367 4.280 5.485 1.00 0.00 C ATOM 460 O LEU A 31 2.932 4.935 6.443 1.00 0.00 O ATOM 461 CB LEU A 31 3.204 5.258 3.077 1.00 0.00 C ATOM 462 CG LEU A 31 2.793 6.773 3.172 1.00 0.00 C ATOM 463 CD1 LEU A 31 3.347 7.479 4.425 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.172 7.549 1.884 1.00 0.00 C ATOM 0 H LEU A 31 0.860 5.420 4.082 1.00 0.00 H new ATOM 0 HA LEU A 31 2.757 3.257 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.291 5.205 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.923 4.899 2.087 1.00 0.00 H new ATOM 0 HG LEU A 31 1.707 6.779 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.026 8.521 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.972 6.981 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.436 7.435 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.873 8.592 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.250 7.494 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.660 7.107 1.029 1.00 0.00 H new ATOM 476 N LEU A 32 4.483 3.538 5.555 1.00 0.00 N ATOM 477 CA LEU A 32 5.319 3.410 6.773 1.00 0.00 C ATOM 478 C LEU A 32 6.659 4.146 6.600 1.00 0.00 C ATOM 479 O LEU A 32 7.476 4.191 7.529 1.00 0.00 O ATOM 480 CB LEU A 32 5.558 1.910 7.091 1.00 0.00 C ATOM 481 CG LEU A 32 4.271 1.062 7.370 1.00 0.00 C ATOM 482 CD1 LEU A 32 4.611 -0.420 7.620 1.00 0.00 C ATOM 483 CD2 LEU A 32 3.459 1.667 8.538 1.00 0.00 C ATOM 0 H LEU A 32 4.839 3.002 4.764 1.00 0.00 H new ATOM 0 HA LEU A 32 4.791 3.870 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.093 1.461 6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.212 1.841 7.961 1.00 0.00 H new ATOM 0 HG LEU A 32 3.647 1.097 6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.693 -0.977 7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.110 -0.832 6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.270 -0.501 8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.570 1.062 8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.073 1.681 9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.161 2.685 8.286 1.00 0.00 H new ATOM 495 N GLN A 33 6.870 4.718 5.406 1.00 0.00 N ATOM 496 CA GLN A 33 8.081 5.479 5.068 1.00 0.00 C ATOM 497 C GLN A 33 7.669 6.652 4.163 1.00 0.00 C ATOM 498 O GLN A 33 6.663 6.551 3.452 1.00 0.00 O ATOM 499 CB GLN A 33 9.118 4.550 4.356 1.00 0.00 C ATOM 500 CG GLN A 33 10.585 4.994 4.508 1.00 0.00 C ATOM 501 CD GLN A 33 11.554 4.165 3.672 1.00 0.00 C ATOM 502 OE1 GLN A 33 11.884 4.523 2.543 1.00 0.00 O ATOM 503 NE2 GLN A 33 11.973 3.025 4.195 1.00 0.00 N ATOM 0 H GLN A 33 6.198 4.665 4.640 1.00 0.00 H new ATOM 0 HA GLN A 33 8.556 5.866 5.970 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.014 3.540 4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.875 4.502 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.672 6.042 4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.871 4.926 5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.681 2.757 5.135 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.589 2.414 3.659 1.00 0.00 H new ATOM 512 N VAL A 34 8.442 7.761 4.189 1.00 0.00 N ATOM 513 CA VAL A 34 8.141 8.978 3.390 1.00 0.00 C ATOM 514 C VAL A 34 9.394 9.527 2.620 1.00 0.00 C ATOM 515 O VAL A 34 9.756 10.697 2.789 1.00 0.00 O ATOM 516 CB VAL A 34 7.498 10.113 4.308 1.00 0.00 C ATOM 517 CG1 VAL A 34 6.066 9.738 4.776 1.00 0.00 C ATOM 518 CG2 VAL A 34 8.407 10.436 5.528 1.00 0.00 C ATOM 0 H VAL A 34 9.285 7.841 4.758 1.00 0.00 H new ATOM 0 HA VAL A 34 7.414 8.683 2.633 1.00 0.00 H new ATOM 0 HB VAL A 34 7.420 11.010 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.665 10.538 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.424 9.599 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.102 8.813 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.941 11.213 6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.540 9.537 6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.378 10.784 5.176 1.00 0.00 H new ATOM 528 N PRO A 35 10.092 8.712 1.749 1.00 0.00 N ATOM 529 CA PRO A 35 11.138 9.248 0.852 1.00 0.00 C ATOM 530 C PRO A 35 10.487 9.969 -0.352 1.00 0.00 C ATOM 531 O PRO A 35 9.608 9.398 -1.029 1.00 0.00 O ATOM 532 CB PRO A 35 11.933 7.986 0.429 1.00 0.00 C ATOM 533 CG PRO A 35 10.918 6.885 0.457 1.00 0.00 C ATOM 534 CD PRO A 35 9.945 7.243 1.564 1.00 0.00 C ATOM 0 HA PRO A 35 11.783 9.993 1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.366 8.103 -0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.756 7.786 1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.406 6.802 -0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.392 5.922 0.650 1.00 0.00 H new ATOM 0 HD2 PRO A 35 8.923 6.980 1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.178 6.705 2.483 1.00 0.00 H new ATOM 542 N ASP A 36 10.882 11.232 -0.576 1.00 0.00 N ATOM 543 CA ASP A 36 10.381 12.053 -1.687 1.00 0.00 C ATOM 544 C ASP A 36 10.780 11.408 -3.032 1.00 0.00 C ATOM 545 O ASP A 36 11.948 11.451 -3.447 1.00 0.00 O ATOM 546 CB ASP A 36 10.890 13.523 -1.548 1.00 0.00 C ATOM 547 CG ASP A 36 12.423 13.668 -1.496 1.00 0.00 C ATOM 548 OD1 ASP A 36 13.032 13.260 -0.487 1.00 0.00 O ATOM 549 OD2 ASP A 36 13.029 14.196 -2.455 1.00 0.00 O ATOM 0 H ASP A 36 11.562 11.714 0.012 1.00 0.00 H new ATOM 0 HA ASP A 36 9.292 12.094 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.511 14.106 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.466 13.956 -0.642 1.00 0.00 H new ATOM 554 N GLY A 37 9.796 10.745 -3.668 1.00 0.00 N ATOM 555 CA GLY A 37 10.029 9.990 -4.894 1.00 0.00 C ATOM 556 C GLY A 37 10.793 8.695 -4.638 1.00 0.00 C ATOM 557 O GLY A 37 11.834 8.440 -5.254 1.00 0.00 O ATOM 0 H GLY A 37 8.829 10.723 -3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.073 9.759 -5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.588 10.607 -5.597 1.00 0.00 H new ATOM 561 N GLY A 38 10.259 7.875 -3.718 1.00 0.00 N ATOM 562 CA GLY A 38 10.858 6.585 -3.360 1.00 0.00 C ATOM 563 C GLY A 38 9.815 5.510 -3.082 1.00 0.00 C ATOM 564 O GLY A 38 8.614 5.732 -3.291 1.00 0.00 O ATOM 0 H GLY A 38 9.404 8.089 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.508 6.254 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.486 6.713 -2.478 1.00 0.00 H new ATOM 568 N TRP A 39 10.280 4.344 -2.597 1.00 0.00 N ATOM 569 CA TRP A 39 9.414 3.193 -2.285 1.00 0.00 C ATOM 570 C TRP A 39 8.777 3.409 -0.900 1.00 0.00 C ATOM 571 O TRP A 39 9.436 3.915 0.017 1.00 0.00 O ATOM 572 CB TRP A 39 10.231 1.867 -2.283 1.00 0.00 C ATOM 573 CG TRP A 39 11.152 1.683 -3.475 1.00 0.00 C ATOM 574 CD1 TRP A 39 12.449 2.118 -3.581 1.00 0.00 C ATOM 575 CD2 TRP A 39 10.860 1.014 -4.710 1.00 0.00 C ATOM 576 NE1 TRP A 39 12.966 1.761 -4.794 1.00 0.00 N ATOM 577 CE2 TRP A 39 12.016 1.087 -5.506 1.00 0.00 C ATOM 578 CE3 TRP A 39 9.736 0.364 -5.221 1.00 0.00 C ATOM 579 CZ2 TRP A 39 12.080 0.539 -6.783 1.00 0.00 C ATOM 580 CZ3 TRP A 39 9.805 -0.187 -6.488 1.00 0.00 C ATOM 581 CH2 TRP A 39 10.968 -0.095 -7.257 1.00 0.00 C ATOM 0 H TRP A 39 11.268 4.174 -2.410 1.00 0.00 H new ATOM 0 HA TRP A 39 8.640 3.116 -3.049 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.827 1.826 -1.372 1.00 0.00 H new ATOM 0 HB3 TRP A 39 9.535 1.029 -2.247 1.00 0.00 H new ATOM 0 HD1 TRP A 39 12.983 2.663 -2.817 1.00 0.00 H new ATOM 0 HE1 TRP A 39 13.912 1.966 -5.117 1.00 0.00 H new ATOM 0 HE3 TRP A 39 8.829 0.292 -4.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.978 0.613 -7.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 8.943 -0.698 -6.891 1.00 0.00 H new ATOM 0 HH2 TRP A 39 10.987 -0.533 -8.244 1.00 0.00 H new ATOM 592 N TRP A 40 7.500 3.038 -0.761 1.00 0.00 N ATOM 593 CA TRP A 40 6.757 3.152 0.507 1.00 0.00 C ATOM 594 C TRP A 40 6.337 1.757 0.972 1.00 0.00 C ATOM 595 O TRP A 40 5.865 0.954 0.161 1.00 0.00 O ATOM 596 CB TRP A 40 5.502 4.051 0.326 1.00 0.00 C ATOM 597 CG TRP A 40 5.795 5.457 -0.146 1.00 0.00 C ATOM 598 CD1 TRP A 40 6.792 6.275 0.291 1.00 0.00 C ATOM 599 CD2 TRP A 40 5.063 6.218 -1.118 1.00 0.00 C ATOM 600 NE1 TRP A 40 6.756 7.476 -0.365 1.00 0.00 N ATOM 601 CE2 TRP A 40 5.702 7.468 -1.236 1.00 0.00 C ATOM 602 CE3 TRP A 40 3.947 5.955 -1.914 1.00 0.00 C ATOM 603 CZ2 TRP A 40 5.254 8.459 -2.103 1.00 0.00 C ATOM 604 CZ3 TRP A 40 3.497 6.940 -2.773 1.00 0.00 C ATOM 605 CH2 TRP A 40 4.155 8.175 -2.869 1.00 0.00 C ATOM 0 H TRP A 40 6.947 2.649 -1.525 1.00 0.00 H new ATOM 0 HA TRP A 40 7.402 3.610 1.257 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.831 3.575 -0.389 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.970 4.105 1.276 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.513 6.012 1.051 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.407 8.249 -0.227 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.445 5.000 -1.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.753 9.414 -2.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.624 6.755 -3.381 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.787 8.918 -3.562 1.00 0.00 H new ATOM 616 N GLU A 41 6.491 1.473 2.278 1.00 0.00 N ATOM 617 CA GLU A 41 6.039 0.199 2.853 1.00 0.00 C ATOM 618 C GLU A 41 4.581 0.343 3.261 1.00 0.00 C ATOM 619 O GLU A 41 4.228 1.248 4.010 1.00 0.00 O ATOM 620 CB GLU A 41 6.871 -0.252 4.090 1.00 0.00 C ATOM 621 CG GLU A 41 8.367 -0.529 3.840 1.00 0.00 C ATOM 622 CD GLU A 41 9.218 0.745 3.753 1.00 0.00 C ATOM 623 OE1 GLU A 41 9.639 1.243 4.813 1.00 0.00 O ATOM 624 OE2 GLU A 41 9.471 1.240 2.639 1.00 0.00 O ATOM 0 H GLU A 41 6.923 2.107 2.950 1.00 0.00 H new ATOM 0 HA GLU A 41 6.172 -0.567 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.789 0.518 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.418 -1.157 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.751 -1.159 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.474 -1.092 2.913 1.00 0.00 H new ATOM 631 N GLY A 42 3.741 -0.538 2.734 1.00 0.00 N ATOM 632 CA GLY A 42 2.341 -0.562 3.092 1.00 0.00 C ATOM 633 C GLY A 42 2.100 -1.383 4.348 1.00 0.00 C ATOM 634 O GLY A 42 2.778 -2.400 4.565 1.00 0.00 O ATOM 0 H GLY A 42 4.013 -1.247 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.987 0.457 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.761 -0.977 2.268 1.00 0.00 H new ATOM 638 N GLU A 43 1.162 -0.928 5.185 1.00 0.00 N ATOM 639 CA GLU A 43 0.704 -1.676 6.368 1.00 0.00 C ATOM 640 C GLU A 43 -0.651 -2.308 6.053 1.00 0.00 C ATOM 641 O GLU A 43 -1.461 -1.726 5.322 1.00 0.00 O ATOM 642 CB GLU A 43 0.563 -0.750 7.608 1.00 0.00 C ATOM 643 CG GLU A 43 -0.427 0.414 7.427 1.00 0.00 C ATOM 644 CD GLU A 43 -0.744 1.140 8.736 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.097 1.931 9.204 1.00 0.00 O ATOM 646 OE2 GLU A 43 -1.832 0.910 9.313 1.00 0.00 O ATOM 0 H GLU A 43 0.696 -0.029 5.064 1.00 0.00 H new ATOM 0 HA GLU A 43 1.443 -2.442 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.245 -1.351 8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.543 -0.342 7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.014 1.127 6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.353 0.032 6.996 1.00 0.00 H new ATOM 653 N LYS A 44 -0.871 -3.511 6.576 1.00 0.00 N ATOM 654 CA LYS A 44 -2.161 -4.203 6.491 1.00 0.00 C ATOM 655 C LYS A 44 -2.596 -4.687 7.876 1.00 0.00 C ATOM 656 O LYS A 44 -1.753 -4.976 8.739 1.00 0.00 O ATOM 657 CB LYS A 44 -2.089 -5.395 5.503 1.00 0.00 C ATOM 658 CG LYS A 44 -2.013 -5.006 4.005 1.00 0.00 C ATOM 659 CD LYS A 44 -2.174 -6.226 3.074 1.00 0.00 C ATOM 660 CE LYS A 44 -3.520 -6.951 3.282 1.00 0.00 C ATOM 661 NZ LYS A 44 -3.581 -8.242 2.566 1.00 0.00 N ATOM 0 H LYS A 44 -0.156 -4.040 7.075 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.901 -3.496 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.216 -5.999 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.965 -6.025 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.791 -4.276 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.056 -4.523 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.096 -5.901 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.357 -6.925 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.677 -7.122 4.347 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.332 -6.310 2.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.565 -8.576 2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.228 -8.118 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.993 -8.942 3.062 1.00 0.00 H new ATOM 675 N GLU A 45 -3.920 -4.798 8.058 1.00 0.00 N ATOM 676 CA GLU A 45 -4.539 -5.400 9.261 1.00 0.00 C ATOM 677 C GLU A 45 -4.230 -6.916 9.313 1.00 0.00 C ATOM 678 O GLU A 45 -4.299 -7.542 10.375 1.00 0.00 O ATOM 679 CB GLU A 45 -6.074 -5.156 9.247 1.00 0.00 C ATOM 680 CG GLU A 45 -6.498 -3.678 9.083 1.00 0.00 C ATOM 681 CD GLU A 45 -5.982 -2.764 10.207 1.00 0.00 C ATOM 682 OE1 GLU A 45 -6.517 -2.837 11.330 1.00 0.00 O ATOM 683 OE2 GLU A 45 -5.032 -1.986 9.980 1.00 0.00 O ATOM 0 H GLU A 45 -4.601 -4.472 7.373 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.121 -4.930 10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.512 -5.736 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.496 -5.539 10.176 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.131 -3.307 8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.586 -3.622 9.050 1.00 0.00 H new ATOM 690 N ASP A 46 -3.908 -7.476 8.127 1.00 0.00 N ATOM 691 CA ASP A 46 -3.361 -8.840 7.948 1.00 0.00 C ATOM 692 C ASP A 46 -2.136 -9.075 8.864 1.00 0.00 C ATOM 693 O ASP A 46 -1.949 -10.176 9.398 1.00 0.00 O ATOM 694 CB ASP A 46 -2.984 -9.018 6.453 1.00 0.00 C ATOM 695 CG ASP A 46 -2.270 -10.336 6.132 1.00 0.00 C ATOM 696 OD1 ASP A 46 -2.950 -11.372 5.981 1.00 0.00 O ATOM 697 OD2 ASP A 46 -1.024 -10.342 6.024 1.00 0.00 O ATOM 0 H ASP A 46 -4.024 -6.979 7.244 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.111 -9.579 8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.891 -8.955 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.344 -8.189 6.151 1.00 0.00 H new ATOM 702 N GLY A 47 -1.309 -8.024 9.020 1.00 0.00 N ATOM 703 CA GLY A 47 -0.184 -8.032 9.958 1.00 0.00 C ATOM 704 C GLY A 47 1.179 -8.089 9.283 1.00 0.00 C ATOM 705 O GLY A 47 2.197 -8.026 9.974 1.00 0.00 O ATOM 0 H GLY A 47 -1.406 -7.152 8.499 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.234 -7.137 10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.285 -8.889 10.624 1.00 0.00 H new ATOM 709 N LEU A 48 1.218 -8.231 7.941 1.00 0.00 N ATOM 710 CA LEU A 48 2.490 -8.209 7.175 1.00 0.00 C ATOM 711 C LEU A 48 2.831 -6.788 6.681 1.00 0.00 C ATOM 712 O LEU A 48 2.023 -5.852 6.792 1.00 0.00 O ATOM 713 CB LEU A 48 2.453 -9.218 5.988 1.00 0.00 C ATOM 714 CG LEU A 48 2.354 -10.736 6.359 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.423 -11.624 5.094 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.422 -11.144 7.408 1.00 0.00 C ATOM 0 H LEU A 48 0.387 -8.362 7.364 1.00 0.00 H new ATOM 0 HA LEU A 48 3.283 -8.520 7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.603 -8.966 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.352 -9.072 5.389 1.00 0.00 H new ATOM 0 HG LEU A 48 1.381 -10.898 6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.352 -12.673 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.597 -11.374 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.369 -11.452 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.319 -12.204 7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.417 -10.955 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.280 -10.560 8.317 1.00 0.00 H new ATOM 728 N ARG A 49 4.043 -6.673 6.118 1.00 0.00 N ATOM 729 CA ARG A 49 4.657 -5.414 5.662 1.00 0.00 C ATOM 730 C ARG A 49 5.500 -5.693 4.398 1.00 0.00 C ATOM 731 O ARG A 49 6.042 -6.796 4.240 1.00 0.00 O ATOM 732 CB ARG A 49 5.563 -4.828 6.789 1.00 0.00 C ATOM 733 CG ARG A 49 6.342 -3.540 6.416 1.00 0.00 C ATOM 734 CD ARG A 49 7.336 -3.104 7.502 1.00 0.00 C ATOM 735 NE ARG A 49 8.106 -1.911 7.091 1.00 0.00 N ATOM 736 CZ ARG A 49 9.243 -1.486 7.659 1.00 0.00 C ATOM 737 NH1 ARG A 49 9.763 -2.115 8.707 1.00 0.00 N ATOM 738 NH2 ARG A 49 9.856 -0.420 7.181 1.00 0.00 N ATOM 0 H ARG A 49 4.645 -7.482 5.962 1.00 0.00 H new ATOM 0 HA ARG A 49 3.877 -4.689 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.941 -4.617 7.659 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.280 -5.592 7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.881 -3.705 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.633 -2.732 6.235 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.796 -2.889 8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.022 -3.923 7.718 1.00 0.00 H new ATOM 0 HE ARG A 49 7.741 -1.366 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.296 -2.936 9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.629 -1.777 9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.464 0.078 6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.722 -0.094 7.611 1.00 0.00 H new ATOM 752 N GLY A 50 5.574 -4.698 3.498 1.00 0.00 N ATOM 753 CA GLY A 50 6.411 -4.775 2.298 1.00 0.00 C ATOM 754 C GLY A 50 6.406 -3.468 1.526 1.00 0.00 C ATOM 755 O GLY A 50 5.413 -2.733 1.556 1.00 0.00 O ATOM 0 H GLY A 50 5.056 -3.823 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.433 -5.026 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.053 -5.579 1.655 1.00 0.00 H new ATOM 759 N TRP A 51 7.503 -3.203 0.796 1.00 0.00 N ATOM 760 CA TRP A 51 7.726 -1.931 0.076 1.00 0.00 C ATOM 761 C TRP A 51 7.325 -2.088 -1.396 1.00 0.00 C ATOM 762 O TRP A 51 7.717 -3.054 -2.061 1.00 0.00 O ATOM 763 CB TRP A 51 9.206 -1.455 0.223 1.00 0.00 C ATOM 764 CG TRP A 51 10.251 -2.512 -0.083 1.00 0.00 C ATOM 765 CD1 TRP A 51 10.715 -3.477 0.767 1.00 0.00 C ATOM 766 CD2 TRP A 51 10.957 -2.707 -1.321 1.00 0.00 C ATOM 767 NE1 TRP A 51 11.654 -4.249 0.140 1.00 0.00 N ATOM 768 CE2 TRP A 51 11.821 -3.800 -1.140 1.00 0.00 C ATOM 769 CE3 TRP A 51 10.939 -2.061 -2.560 1.00 0.00 C ATOM 770 CZ2 TRP A 51 12.658 -4.265 -2.151 1.00 0.00 C ATOM 771 CZ3 TRP A 51 11.768 -2.522 -3.564 1.00 0.00 C ATOM 772 CH2 TRP A 51 12.618 -3.617 -3.355 1.00 0.00 C ATOM 0 H TRP A 51 8.268 -3.869 0.686 1.00 0.00 H new ATOM 0 HA TRP A 51 7.098 -1.159 0.520 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.366 -0.604 -0.439 1.00 0.00 H new ATOM 0 HB3 TRP A 51 9.358 -1.099 1.242 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.387 -3.611 1.787 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.150 -5.035 0.561 1.00 0.00 H new ATOM 0 HE3 TRP A 51 10.288 -1.216 -2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 13.315 -5.107 -1.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 11.761 -2.031 -4.526 1.00 0.00 H new ATOM 0 HH2 TRP A 51 13.253 -3.955 -4.160 1.00 0.00 H new ATOM 783 N PHE A 52 6.511 -1.142 -1.877 1.00 0.00 N ATOM 784 CA PHE A 52 5.978 -1.105 -3.252 1.00 0.00 C ATOM 785 C PHE A 52 6.035 0.348 -3.776 1.00 0.00 C ATOM 786 O PHE A 52 6.016 1.292 -2.970 1.00 0.00 O ATOM 787 CB PHE A 52 4.514 -1.665 -3.293 1.00 0.00 C ATOM 788 CG PHE A 52 4.441 -3.179 -3.108 1.00 0.00 C ATOM 789 CD1 PHE A 52 4.502 -4.036 -4.208 1.00 0.00 C ATOM 790 CD2 PHE A 52 4.348 -3.747 -1.837 1.00 0.00 C ATOM 791 CE1 PHE A 52 4.481 -5.407 -4.040 1.00 0.00 C ATOM 792 CE2 PHE A 52 4.322 -5.114 -1.672 1.00 0.00 C ATOM 793 CZ PHE A 52 4.388 -5.946 -2.772 1.00 0.00 C ATOM 0 H PHE A 52 6.193 -0.357 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 52 6.587 -1.739 -3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.926 -1.182 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.058 -1.400 -4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.566 -3.622 -5.203 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.296 -3.105 -0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.537 -6.057 -4.900 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.250 -5.536 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.367 -7.018 -2.641 1.00 0.00 H new ATOM 803 N PRO A 53 6.123 0.555 -5.139 1.00 0.00 N ATOM 804 CA PRO A 53 6.170 1.911 -5.740 1.00 0.00 C ATOM 805 C PRO A 53 4.796 2.618 -5.710 1.00 0.00 C ATOM 806 O PRO A 53 3.753 1.990 -5.455 1.00 0.00 O ATOM 807 CB PRO A 53 6.639 1.627 -7.194 1.00 0.00 C ATOM 808 CG PRO A 53 6.101 0.262 -7.496 1.00 0.00 C ATOM 809 CD PRO A 53 6.171 -0.508 -6.190 1.00 0.00 C ATOM 0 HA PRO A 53 6.827 2.590 -5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.250 2.371 -7.890 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.726 1.653 -7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.076 0.318 -7.863 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.690 -0.228 -8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.338 -1.204 -6.092 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.087 -1.095 -6.122 1.00 0.00 H new ATOM 817 N ALA A 54 4.826 3.927 -6.009 1.00 0.00 N ATOM 818 CA ALA A 54 3.631 4.792 -6.078 1.00 0.00 C ATOM 819 C ALA A 54 2.712 4.408 -7.261 1.00 0.00 C ATOM 820 O ALA A 54 1.567 4.831 -7.314 1.00 0.00 O ATOM 821 CB ALA A 54 4.067 6.264 -6.189 1.00 0.00 C ATOM 0 H ALA A 54 5.693 4.424 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 54 3.055 4.651 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.185 6.902 -6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.660 6.535 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.665 6.399 -7.090 1.00 0.00 H new ATOM 827 N SER A 55 3.254 3.612 -8.199 1.00 0.00 N ATOM 828 CA SER A 55 2.549 3.131 -9.400 1.00 0.00 C ATOM 829 C SER A 55 1.233 2.383 -9.061 1.00 0.00 C ATOM 830 O SER A 55 0.246 2.482 -9.799 1.00 0.00 O ATOM 831 CB SER A 55 3.501 2.203 -10.188 1.00 0.00 C ATOM 832 OG SER A 55 4.762 2.822 -10.406 1.00 0.00 O ATOM 0 H SER A 55 4.216 3.278 -8.142 1.00 0.00 H new ATOM 0 HA SER A 55 2.267 3.997 -10.000 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.641 1.271 -9.640 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.050 1.944 -11.146 1.00 0.00 H new ATOM 0 HG SER A 55 5.344 2.212 -10.905 1.00 0.00 H new ATOM 838 N TYR A 56 1.225 1.646 -7.930 1.00 0.00 N ATOM 839 CA TYR A 56 0.080 0.790 -7.527 1.00 0.00 C ATOM 840 C TYR A 56 -0.854 1.488 -6.519 1.00 0.00 C ATOM 841 O TYR A 56 -1.952 0.980 -6.244 1.00 0.00 O ATOM 842 CB TYR A 56 0.604 -0.545 -6.941 1.00 0.00 C ATOM 843 CG TYR A 56 1.425 -1.364 -7.949 1.00 0.00 C ATOM 844 CD1 TYR A 56 0.799 -2.051 -8.994 1.00 0.00 C ATOM 845 CD2 TYR A 56 2.819 -1.437 -7.870 1.00 0.00 C ATOM 846 CE1 TYR A 56 1.531 -2.772 -9.915 1.00 0.00 C ATOM 847 CE2 TYR A 56 3.552 -2.166 -8.793 1.00 0.00 C ATOM 848 CZ TYR A 56 2.903 -2.831 -9.812 1.00 0.00 C ATOM 849 OH TYR A 56 3.625 -3.552 -10.739 1.00 0.00 O ATOM 0 H TYR A 56 2.004 1.625 -7.272 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.511 0.593 -8.421 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.219 -0.334 -6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.242 -1.142 -6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.277 -2.017 -9.082 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.333 -0.916 -7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.027 -3.291 -10.717 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.628 -2.213 -8.715 1.00 0.00 H new ATOM 0 HH TYR A 56 4.580 -3.493 -10.527 1.00 0.00 H new ATOM 859 N VAL A 57 -0.419 2.640 -5.969 1.00 0.00 N ATOM 860 CA VAL A 57 -1.182 3.397 -4.947 1.00 0.00 C ATOM 861 C VAL A 57 -1.456 4.841 -5.423 1.00 0.00 C ATOM 862 O VAL A 57 -0.823 5.340 -6.354 1.00 0.00 O ATOM 863 CB VAL A 57 -0.449 3.416 -3.545 1.00 0.00 C ATOM 864 CG1 VAL A 57 -0.275 1.982 -2.972 1.00 0.00 C ATOM 865 CG2 VAL A 57 0.915 4.163 -3.613 1.00 0.00 C ATOM 0 H VAL A 57 0.470 3.074 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.132 2.879 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.090 3.971 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.232 2.034 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.254 1.521 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.319 1.384 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.385 4.153 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.567 3.666 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.750 5.194 -3.925 1.00 0.00 H new ATOM 875 N GLN A 58 -2.443 5.484 -4.792 1.00 0.00 N ATOM 876 CA GLN A 58 -2.855 6.868 -5.086 1.00 0.00 C ATOM 877 C GLN A 58 -2.951 7.643 -3.768 1.00 0.00 C ATOM 878 O GLN A 58 -3.786 7.309 -2.930 1.00 0.00 O ATOM 879 CB GLN A 58 -4.230 6.847 -5.803 1.00 0.00 C ATOM 880 CG GLN A 58 -4.778 8.233 -6.205 1.00 0.00 C ATOM 881 CD GLN A 58 -6.172 8.194 -6.852 1.00 0.00 C ATOM 882 OE1 GLN A 58 -6.963 9.127 -6.698 1.00 0.00 O ATOM 883 NE2 GLN A 58 -6.478 7.137 -7.601 1.00 0.00 N ATOM 0 H GLN A 58 -2.991 5.053 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.127 7.354 -5.736 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.146 6.232 -6.699 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.956 6.361 -5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.818 8.867 -5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.080 8.700 -6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.805 6.379 -7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.385 7.086 -8.064 1.00 0.00 H new ATOM 892 N LEU A 59 -2.095 8.665 -3.595 1.00 0.00 N ATOM 893 CA LEU A 59 -2.049 9.486 -2.369 1.00 0.00 C ATOM 894 C LEU A 59 -3.410 10.155 -2.099 1.00 0.00 C ATOM 895 O LEU A 59 -4.033 10.707 -3.014 1.00 0.00 O ATOM 896 CB LEU A 59 -0.926 10.553 -2.478 1.00 0.00 C ATOM 897 CG LEU A 59 0.538 10.006 -2.535 1.00 0.00 C ATOM 898 CD1 LEU A 59 1.549 11.162 -2.752 1.00 0.00 C ATOM 899 CD2 LEU A 59 0.871 9.173 -1.264 1.00 0.00 C ATOM 0 H LEU A 59 -1.414 8.947 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.827 8.830 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.105 11.149 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.008 11.226 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 59 0.622 9.335 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.561 10.758 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.326 11.669 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.471 11.873 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.895 8.804 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.767 9.801 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.185 8.329 -1.192 1.00 0.00 H new ATOM 911 N LEU A 60 -3.876 10.055 -0.850 1.00 0.00 N ATOM 912 CA LEU A 60 -5.149 10.637 -0.402 1.00 0.00 C ATOM 913 C LEU A 60 -4.844 11.876 0.467 1.00 0.00 C ATOM 914 O LEU A 60 -5.166 13.012 0.055 1.00 0.00 O ATOM 915 CB LEU A 60 -5.966 9.581 0.395 1.00 0.00 C ATOM 916 CG LEU A 60 -6.327 8.268 -0.371 1.00 0.00 C ATOM 917 CD1 LEU A 60 -7.081 7.273 0.543 1.00 0.00 C ATOM 918 CD2 LEU A 60 -7.111 8.565 -1.677 1.00 0.00 C ATOM 919 OXT LEU A 60 -4.240 11.708 1.548 1.00 0.00 O ATOM 0 H LEU A 60 -3.375 9.562 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.749 10.941 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.401 9.313 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.892 10.047 0.732 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.392 7.791 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.318 6.370 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.453 7.015 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.004 7.732 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.344 7.628 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.037 9.087 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.503 9.189 -2.332 1.00 0.00 H new