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 1:sc= -0.274 USER MOD Single : A 8 THR OG1 : rot 156:sc= 1.21 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) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.12) USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= -0.664 (180deg=-2.57!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -154:sc= 0.735 USER MOD Single : A 58 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -0.670 11.093 8.449 1.00 0.00 N ATOM 32 CA GLY A 3 -1.285 9.943 7.789 1.00 0.00 C ATOM 33 C GLY A 3 -1.468 10.157 6.298 1.00 0.00 C ATOM 34 O GLY A 3 -2.579 10.429 5.832 1.00 0.00 O ATOM 0 HA2 GLY A 3 -0.666 9.061 7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.254 9.742 8.245 1.00 0.00 H new ATOM 38 N ALA A 4 -0.358 10.056 5.546 1.00 0.00 N ATOM 39 CA ALA A 4 -0.376 10.114 4.085 1.00 0.00 C ATOM 40 C ALA A 4 -0.717 8.714 3.573 1.00 0.00 C ATOM 41 O ALA A 4 -0.221 7.713 4.111 1.00 0.00 O ATOM 42 CB ALA A 4 0.970 10.616 3.540 1.00 0.00 C ATOM 0 H ALA A 4 0.574 9.932 5.940 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.127 10.823 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.932 10.650 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.170 11.615 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.765 9.939 3.854 1.00 0.00 H new ATOM 48 N ARG A 5 -1.589 8.641 2.574 1.00 0.00 N ATOM 49 CA ARG A 5 -2.211 7.383 2.152 1.00 0.00 C ATOM 50 C ARG A 5 -1.884 7.103 0.680 1.00 0.00 C ATOM 51 O ARG A 5 -1.340 7.952 -0.038 1.00 0.00 O ATOM 52 CB ARG A 5 -3.756 7.476 2.357 1.00 0.00 C ATOM 53 CG ARG A 5 -4.200 8.129 3.688 1.00 0.00 C ATOM 54 CD ARG A 5 -5.715 8.374 3.760 1.00 0.00 C ATOM 55 NE ARG A 5 -6.094 9.148 4.959 1.00 0.00 N ATOM 56 CZ ARG A 5 -6.674 8.649 6.060 1.00 0.00 C ATOM 57 NH1 ARG A 5 -6.884 7.342 6.198 1.00 0.00 N ATOM 58 NH2 ARG A 5 -7.022 9.471 7.033 1.00 0.00 N ATOM 0 H ARG A 5 -1.888 9.451 2.031 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.819 6.564 2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.184 8.044 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.176 6.471 2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.901 7.489 4.518 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.678 9.078 3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.039 8.908 2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.237 7.417 3.766 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.898 10.149 4.949 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.602 6.699 5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.327 6.983 7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.849 10.472 6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.464 9.105 7.876 1.00 0.00 H new ATOM 72 N CYS A 6 -2.215 5.890 0.268 1.00 0.00 N ATOM 73 CA CYS A 6 -2.213 5.449 -1.126 1.00 0.00 C ATOM 74 C CYS A 6 -3.511 4.669 -1.351 1.00 0.00 C ATOM 75 O CYS A 6 -4.019 4.052 -0.417 1.00 0.00 O ATOM 76 CB CYS A 6 -0.984 4.554 -1.399 1.00 0.00 C ATOM 77 SG CYS A 6 0.604 5.355 -1.072 1.00 0.00 S ATOM 0 H CYS A 6 -2.503 5.156 0.915 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.155 6.299 -1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.059 3.656 -0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.008 4.231 -2.440 1.00 0.00 H new ATOM 0 HG CYS A 6 0.399 6.563 -0.637 1.00 0.00 H new ATOM 83 N ARG A 7 -4.063 4.716 -2.564 1.00 0.00 N ATOM 84 CA ARG A 7 -5.251 3.927 -2.924 1.00 0.00 C ATOM 85 C ARG A 7 -4.923 3.063 -4.139 1.00 0.00 C ATOM 86 O ARG A 7 -4.393 3.542 -5.153 1.00 0.00 O ATOM 87 CB ARG A 7 -6.488 4.831 -3.178 1.00 0.00 C ATOM 88 CG ARG A 7 -6.324 5.882 -4.288 1.00 0.00 C ATOM 89 CD ARG A 7 -7.579 6.747 -4.487 1.00 0.00 C ATOM 90 NE ARG A 7 -8.718 5.983 -5.016 1.00 0.00 N ATOM 91 CZ ARG A 7 -9.970 6.444 -5.134 1.00 0.00 C ATOM 92 NH1 ARG A 7 -10.303 7.655 -4.710 1.00 0.00 N ATOM 93 NH2 ARG A 7 -10.900 5.669 -5.653 1.00 0.00 N ATOM 0 H ARG A 7 -3.705 5.296 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.516 3.280 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.336 4.194 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.737 5.345 -2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.479 6.527 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.084 5.379 -5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.860 7.197 -3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.347 7.565 -5.170 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.541 5.025 -5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.599 8.257 -4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.263 7.984 -4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.664 4.726 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.856 6.012 -5.747 1.00 0.00 H new ATOM 107 N THR A 8 -5.221 1.780 -3.999 1.00 0.00 N ATOM 108 CA THR A 8 -4.935 0.758 -4.993 1.00 0.00 C ATOM 109 C THR A 8 -5.984 0.785 -6.108 1.00 0.00 C ATOM 110 O THR A 8 -7.195 0.715 -5.848 1.00 0.00 O ATOM 111 CB THR A 8 -4.897 -0.628 -4.304 1.00 0.00 C ATOM 112 OG1 THR A 8 -6.064 -0.758 -3.476 1.00 0.00 O ATOM 113 CG2 THR A 8 -3.622 -0.798 -3.455 1.00 0.00 C ATOM 0 H THR A 8 -5.682 1.411 -3.167 1.00 0.00 H new ATOM 0 HA THR A 8 -3.964 0.956 -5.447 1.00 0.00 H new ATOM 0 HB THR A 8 -4.886 -1.406 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.268 -1.708 -3.344 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.626 -1.781 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.744 -0.705 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.593 -0.028 -2.684 1.00 0.00 H new ATOM 121 N LEU A 9 -5.500 0.898 -7.347 1.00 0.00 N ATOM 122 CA LEU A 9 -6.344 1.056 -8.527 1.00 0.00 C ATOM 123 C LEU A 9 -7.057 -0.264 -8.850 1.00 0.00 C ATOM 124 O LEU A 9 -8.284 -0.307 -8.964 1.00 0.00 O ATOM 125 CB LEU A 9 -5.470 1.552 -9.710 1.00 0.00 C ATOM 126 CG LEU A 9 -4.615 2.835 -9.418 1.00 0.00 C ATOM 127 CD1 LEU A 9 -3.791 3.262 -10.649 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.494 3.993 -8.891 1.00 0.00 C ATOM 0 H LEU A 9 -4.502 0.882 -7.558 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.119 1.799 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.798 0.747 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.120 1.754 -10.561 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.906 2.580 -8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.212 4.154 -10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.114 2.456 -10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.463 3.479 -11.479 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.870 4.866 -8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.250 4.244 -9.635 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.983 3.687 -7.966 1.00 0.00 H new ATOM 140 N TYR A 10 -6.275 -1.358 -8.952 1.00 0.00 N ATOM 141 CA TYR A 10 -6.792 -2.719 -9.235 1.00 0.00 C ATOM 142 C TYR A 10 -6.032 -3.756 -8.369 1.00 0.00 C ATOM 143 O TYR A 10 -4.947 -3.441 -7.863 1.00 0.00 O ATOM 144 CB TYR A 10 -6.679 -3.041 -10.756 1.00 0.00 C ATOM 145 CG TYR A 10 -7.612 -2.194 -11.623 1.00 0.00 C ATOM 146 CD1 TYR A 10 -8.995 -2.392 -11.584 1.00 0.00 C ATOM 147 CD2 TYR A 10 -7.121 -1.188 -12.458 1.00 0.00 C ATOM 148 CE1 TYR A 10 -9.845 -1.617 -12.343 1.00 0.00 C ATOM 149 CE2 TYR A 10 -7.975 -0.413 -13.221 1.00 0.00 C ATOM 150 CZ TYR A 10 -9.334 -0.634 -13.162 1.00 0.00 C ATOM 151 OH TYR A 10 -10.192 0.141 -13.915 1.00 0.00 O ATOM 0 H TYR A 10 -5.262 -1.325 -8.840 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.849 -2.768 -8.973 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.650 -2.882 -11.079 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.904 -4.096 -10.915 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.404 -3.164 -10.949 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.057 -1.012 -12.509 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.912 -1.780 -12.296 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.579 0.362 -13.860 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.674 0.789 -14.438 1.00 0.00 H new ATOM 161 N PRO A 11 -6.594 -4.998 -8.140 1.00 0.00 N ATOM 162 CA PRO A 11 -5.897 -6.045 -7.378 1.00 0.00 C ATOM 163 C PRO A 11 -4.854 -6.736 -8.272 1.00 0.00 C ATOM 164 O PRO A 11 -5.203 -7.558 -9.128 1.00 0.00 O ATOM 165 CB PRO A 11 -7.033 -7.022 -6.929 1.00 0.00 C ATOM 166 CG PRO A 11 -8.309 -6.475 -7.523 1.00 0.00 C ATOM 167 CD PRO A 11 -7.910 -5.497 -8.607 1.00 0.00 C ATOM 0 HA PRO A 11 -5.345 -5.662 -6.519 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.840 -8.035 -7.283 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.098 -7.072 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.918 -7.280 -7.935 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.909 -5.980 -6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.835 -5.982 -9.580 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.635 -4.689 -8.708 1.00 0.00 H new ATOM 175 N PHE A 12 -3.585 -6.336 -8.118 1.00 0.00 N ATOM 176 CA PHE A 12 -2.455 -6.933 -8.848 1.00 0.00 C ATOM 177 C PHE A 12 -1.731 -7.940 -7.951 1.00 0.00 C ATOM 178 O PHE A 12 -1.576 -7.710 -6.744 1.00 0.00 O ATOM 179 CB PHE A 12 -1.463 -5.845 -9.322 1.00 0.00 C ATOM 180 CG PHE A 12 -2.078 -4.802 -10.252 1.00 0.00 C ATOM 181 CD1 PHE A 12 -2.274 -5.080 -11.604 1.00 0.00 C ATOM 182 CD2 PHE A 12 -2.442 -3.543 -9.775 1.00 0.00 C ATOM 183 CE1 PHE A 12 -2.811 -4.130 -12.450 1.00 0.00 C ATOM 184 CE2 PHE A 12 -2.984 -2.598 -10.622 1.00 0.00 C ATOM 185 CZ PHE A 12 -3.164 -2.891 -11.959 1.00 0.00 C ATOM 0 H PHE A 12 -3.311 -5.587 -7.482 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.848 -7.444 -9.727 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.051 -5.339 -8.449 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.630 -6.327 -9.834 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.003 -6.050 -11.994 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.298 -3.305 -8.731 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.954 -4.357 -13.496 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.267 -1.629 -10.239 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.582 -2.148 -12.622 1.00 0.00 H new ATOM 195 N SER A 13 -1.315 -9.061 -8.551 1.00 0.00 N ATOM 196 CA SER A 13 -0.515 -10.096 -7.888 1.00 0.00 C ATOM 197 C SER A 13 0.474 -10.684 -8.904 1.00 0.00 C ATOM 198 O SER A 13 0.112 -11.546 -9.714 1.00 0.00 O ATOM 199 CB SER A 13 -1.422 -11.195 -7.282 1.00 0.00 C ATOM 200 OG SER A 13 -2.319 -10.653 -6.320 1.00 0.00 O ATOM 0 H SER A 13 -1.528 -9.277 -9.525 1.00 0.00 H new ATOM 0 HA SER A 13 0.042 -9.653 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.988 -11.681 -8.077 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.805 -11.962 -6.815 1.00 0.00 H new ATOM 0 HG SER A 13 -2.880 -11.369 -5.956 1.00 0.00 H new ATOM 206 N GLY A 14 1.705 -10.142 -8.894 1.00 0.00 N ATOM 207 CA GLY A 14 2.805 -10.676 -9.694 1.00 0.00 C ATOM 208 C GLY A 14 3.473 -11.856 -9.007 1.00 0.00 C ATOM 209 O GLY A 14 2.964 -12.362 -7.990 1.00 0.00 O ATOM 0 H GLY A 14 1.957 -9.328 -8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.430 -10.986 -10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.541 -9.892 -9.871 1.00 0.00 H new ATOM 213 N GLU A 15 4.615 -12.300 -9.539 1.00 0.00 N ATOM 214 CA GLU A 15 5.333 -13.473 -9.004 1.00 0.00 C ATOM 215 C GLU A 15 6.814 -13.140 -8.767 1.00 0.00 C ATOM 216 O GLU A 15 7.485 -12.567 -9.636 1.00 0.00 O ATOM 217 CB GLU A 15 5.194 -14.678 -9.968 1.00 0.00 C ATOM 218 CG GLU A 15 5.807 -15.993 -9.446 1.00 0.00 C ATOM 219 CD GLU A 15 5.176 -16.469 -8.126 1.00 0.00 C ATOM 220 OE1 GLU A 15 4.094 -17.091 -8.165 1.00 0.00 O ATOM 221 OE2 GLU A 15 5.751 -16.219 -7.044 1.00 0.00 O ATOM 0 H GLU A 15 5.068 -11.866 -10.343 1.00 0.00 H new ATOM 0 HA GLU A 15 4.886 -13.743 -8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.136 -14.842 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.667 -14.424 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.685 -16.769 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.879 -15.855 -9.301 1.00 0.00 H new ATOM 228 N ARG A 16 7.294 -13.512 -7.569 1.00 0.00 N ATOM 229 CA ARG A 16 8.681 -13.300 -7.108 1.00 0.00 C ATOM 230 C ARG A 16 9.102 -14.493 -6.226 1.00 0.00 C ATOM 231 O ARG A 16 8.290 -14.995 -5.434 1.00 0.00 O ATOM 232 CB ARG A 16 8.801 -11.991 -6.271 1.00 0.00 C ATOM 233 CG ARG A 16 8.517 -10.669 -7.028 1.00 0.00 C ATOM 234 CD ARG A 16 8.638 -9.429 -6.126 1.00 0.00 C ATOM 235 NE ARG A 16 8.499 -8.169 -6.889 1.00 0.00 N ATOM 236 CZ ARG A 16 9.468 -7.253 -7.065 1.00 0.00 C ATOM 237 NH1 ARG A 16 10.706 -7.478 -6.630 1.00 0.00 N ATOM 238 NH2 ARG A 16 9.196 -6.123 -7.697 1.00 0.00 N ATOM 0 H ARG A 16 6.714 -13.982 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 16 9.327 -13.215 -7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.113 -12.058 -5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.808 -11.940 -5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.213 -10.576 -7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.514 -10.707 -7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.873 -9.469 -5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.604 -9.442 -5.621 1.00 0.00 H new ATOM 0 HE ARG A 16 7.593 -7.979 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.929 -8.354 -6.157 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.431 -6.775 -6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.254 -5.949 -8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.928 -5.426 -7.833 1.00 0.00 H new ATOM 252 N HIS A 17 10.370 -14.928 -6.353 1.00 0.00 N ATOM 253 CA HIS A 17 10.965 -15.928 -5.446 1.00 0.00 C ATOM 254 C HIS A 17 11.135 -15.284 -4.057 1.00 0.00 C ATOM 255 O HIS A 17 12.064 -14.497 -3.834 1.00 0.00 O ATOM 256 CB HIS A 17 12.325 -16.456 -5.995 1.00 0.00 C ATOM 257 CG HIS A 17 12.994 -17.487 -5.110 1.00 0.00 C ATOM 258 ND1 HIS A 17 12.524 -18.771 -5.032 1.00 0.00 N ATOM 259 CD2 HIS A 17 14.068 -17.365 -4.283 1.00 0.00 C ATOM 260 CE1 HIS A 17 13.308 -19.404 -4.172 1.00 0.00 C ATOM 261 NE2 HIS A 17 14.255 -18.591 -3.694 1.00 0.00 N ATOM 0 H HIS A 17 11.006 -14.600 -7.080 1.00 0.00 H new ATOM 0 HA HIS A 17 10.304 -16.792 -5.372 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.162 -16.891 -6.981 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.003 -15.613 -6.127 1.00 0.00 H new ATOM 0 HD2 HIS A 17 14.659 -16.476 -4.121 1.00 0.00 H new ATOM 0 HE1 HIS A 17 13.196 -20.442 -3.894 1.00 0.00 H new ATOM 0 HE2 HIS A 17 14.980 -18.835 -3.019 1.00 0.00 H new ATOM 269 N GLY A 18 10.184 -15.587 -3.161 1.00 0.00 N ATOM 270 CA GLY A 18 10.136 -15.005 -1.819 1.00 0.00 C ATOM 271 C GLY A 18 8.692 -14.769 -1.389 1.00 0.00 C ATOM 272 O GLY A 18 7.897 -15.711 -1.346 1.00 0.00 O ATOM 0 H GLY A 18 9.427 -16.244 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.628 -15.671 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.684 -14.063 -1.805 1.00 0.00 H new ATOM 276 N GLN A 19 8.348 -13.502 -1.101 1.00 0.00 N ATOM 277 CA GLN A 19 6.995 -13.109 -0.670 1.00 0.00 C ATOM 278 C GLN A 19 6.803 -11.592 -0.851 1.00 0.00 C ATOM 279 O GLN A 19 7.595 -10.789 -0.333 1.00 0.00 O ATOM 280 CB GLN A 19 6.751 -13.524 0.816 1.00 0.00 C ATOM 281 CG GLN A 19 5.369 -13.124 1.411 1.00 0.00 C ATOM 282 CD GLN A 19 4.173 -14.036 1.042 1.00 0.00 C ATOM 283 OE1 GLN A 19 4.179 -14.677 -0.127 1.00 0.00 O flip ATOM 284 NE2 GLN A 19 3.226 -14.155 1.822 1.00 0.00 N flip ATOM 0 H GLN A 19 9.001 -12.721 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 19 6.264 -13.628 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.860 -14.606 0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.533 -13.079 1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.458 -13.100 2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.138 -12.109 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.234 -13.659 2.713 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.434 -14.749 1.576 1.00 0.00 H new ATOM 293 N GLY A 20 5.771 -11.219 -1.625 1.00 0.00 N ATOM 294 CA GLY A 20 5.302 -9.832 -1.717 1.00 0.00 C ATOM 295 C GLY A 20 4.100 -9.603 -0.815 1.00 0.00 C ATOM 296 O GLY A 20 3.468 -10.575 -0.373 1.00 0.00 O ATOM 0 H GLY A 20 5.241 -11.871 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.107 -9.153 -1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.036 -9.602 -2.749 1.00 0.00 H new ATOM 300 N LEU A 21 3.769 -8.330 -0.533 1.00 0.00 N ATOM 301 CA LEU A 21 2.636 -7.992 0.351 1.00 0.00 C ATOM 302 C LEU A 21 1.364 -7.777 -0.500 1.00 0.00 C ATOM 303 O LEU A 21 1.369 -6.979 -1.443 1.00 0.00 O ATOM 304 CB LEU A 21 2.957 -6.744 1.225 1.00 0.00 C ATOM 305 CG LEU A 21 2.006 -6.523 2.448 1.00 0.00 C ATOM 306 CD1 LEU A 21 2.060 -7.727 3.417 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.328 -5.207 3.187 1.00 0.00 C ATOM 0 H LEU A 21 4.267 -7.520 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 21 2.461 -8.821 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.980 -6.831 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.920 -5.858 0.592 1.00 0.00 H new ATOM 0 HG LEU A 21 0.990 -6.443 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.390 -7.548 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.750 -8.631 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.078 -7.853 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.648 -5.087 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.355 -5.236 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.209 -4.367 2.503 1.00 0.00 H new ATOM 319 N ARG A 22 0.291 -8.505 -0.143 1.00 0.00 N ATOM 320 CA ARG A 22 -0.959 -8.592 -0.936 1.00 0.00 C ATOM 321 C ARG A 22 -1.839 -7.331 -0.753 1.00 0.00 C ATOM 322 O ARG A 22 -1.801 -6.682 0.301 1.00 0.00 O ATOM 323 CB ARG A 22 -1.731 -9.872 -0.497 1.00 0.00 C ATOM 324 CG ARG A 22 -2.933 -10.278 -1.379 1.00 0.00 C ATOM 325 CD ARG A 22 -3.634 -11.544 -0.847 1.00 0.00 C ATOM 326 NE ARG A 22 -4.743 -12.006 -1.704 1.00 0.00 N ATOM 327 CZ ARG A 22 -5.301 -13.229 -1.642 1.00 0.00 C ATOM 328 NH1 ARG A 22 -4.854 -14.146 -0.783 1.00 0.00 N ATOM 329 NH2 ARG A 22 -6.314 -13.531 -2.439 1.00 0.00 N ATOM 0 H ARG A 22 0.262 -9.058 0.714 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.709 -8.650 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.028 -10.705 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.088 -9.725 0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.648 -9.456 -1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.592 -10.453 -2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.900 -12.344 -0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.017 -11.344 0.154 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.113 -11.351 -2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.077 -13.925 -0.160 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.289 -15.068 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.669 -12.838 -3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.739 -14.457 -2.395 1.00 0.00 H new ATOM 343 N PHE A 23 -2.614 -6.992 -1.801 1.00 0.00 N ATOM 344 CA PHE A 23 -3.553 -5.860 -1.786 1.00 0.00 C ATOM 345 C PHE A 23 -4.719 -6.124 -2.759 1.00 0.00 C ATOM 346 O PHE A 23 -4.559 -6.813 -3.776 1.00 0.00 O ATOM 347 CB PHE A 23 -2.830 -4.524 -2.134 1.00 0.00 C ATOM 348 CG PHE A 23 -2.114 -4.509 -3.491 1.00 0.00 C ATOM 349 CD1 PHE A 23 -0.797 -4.957 -3.610 1.00 0.00 C ATOM 350 CD2 PHE A 23 -2.752 -4.035 -4.640 1.00 0.00 C ATOM 351 CE1 PHE A 23 -0.146 -4.936 -4.830 1.00 0.00 C ATOM 352 CE2 PHE A 23 -2.098 -4.014 -5.859 1.00 0.00 C ATOM 353 CZ PHE A 23 -0.796 -4.459 -5.952 1.00 0.00 C ATOM 0 H PHE A 23 -2.604 -7.500 -2.685 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.956 -5.763 -0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.562 -3.717 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.101 -4.309 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.279 -5.325 -2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.770 -3.680 -4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.871 -5.293 -4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.608 -3.649 -6.738 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.284 -4.435 -6.903 1.00 0.00 H new ATOM 363 N ALA A 24 -5.891 -5.593 -2.410 1.00 0.00 N ATOM 364 CA ALA A 24 -7.099 -5.601 -3.254 1.00 0.00 C ATOM 365 C ALA A 24 -7.373 -4.164 -3.728 1.00 0.00 C ATOM 366 O ALA A 24 -6.776 -3.233 -3.206 1.00 0.00 O ATOM 367 CB ALA A 24 -8.295 -6.163 -2.468 1.00 0.00 C ATOM 0 H ALA A 24 -6.036 -5.133 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.947 -6.243 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.180 -6.163 -3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.076 -7.183 -2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.478 -5.542 -1.591 1.00 0.00 H new ATOM 373 N ALA A 25 -8.266 -3.992 -4.715 1.00 0.00 N ATOM 374 CA ALA A 25 -8.640 -2.654 -5.230 1.00 0.00 C ATOM 375 C ALA A 25 -9.586 -1.923 -4.262 1.00 0.00 C ATOM 376 O ALA A 25 -10.446 -2.549 -3.630 1.00 0.00 O ATOM 377 CB ALA A 25 -9.309 -2.774 -6.610 1.00 0.00 C ATOM 0 H ALA A 25 -8.747 -4.763 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.723 -2.072 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.577 -1.781 -6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.617 -3.241 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.208 -3.384 -6.527 1.00 0.00 H new ATOM 383 N GLY A 26 -9.400 -0.596 -4.146 1.00 0.00 N ATOM 384 CA GLY A 26 -10.336 0.271 -3.421 1.00 0.00 C ATOM 385 C GLY A 26 -9.924 0.553 -1.993 1.00 0.00 C ATOM 386 O GLY A 26 -10.380 1.540 -1.404 1.00 0.00 O ATOM 0 H GLY A 26 -8.604 -0.102 -4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.430 1.216 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.322 -0.194 -3.420 1.00 0.00 H new ATOM 390 N GLU A 27 -9.072 -0.310 -1.417 1.00 0.00 N ATOM 391 CA GLU A 27 -8.574 -0.124 -0.046 1.00 0.00 C ATOM 392 C GLU A 27 -7.398 0.873 -0.035 1.00 0.00 C ATOM 393 O GLU A 27 -6.810 1.189 -1.084 1.00 0.00 O ATOM 394 CB GLU A 27 -8.228 -1.503 0.604 1.00 0.00 C ATOM 395 CG GLU A 27 -7.273 -2.421 -0.195 1.00 0.00 C ATOM 396 CD GLU A 27 -5.773 -2.160 0.045 1.00 0.00 C ATOM 397 OE1 GLU A 27 -5.177 -1.339 -0.666 1.00 0.00 O ATOM 398 OE2 GLU A 27 -5.196 -2.776 0.961 1.00 0.00 O ATOM 0 H GLU A 27 -8.714 -1.145 -1.881 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.357 0.315 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.784 -1.318 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.159 -2.044 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.492 -3.458 0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.482 -2.302 -1.258 1.00 0.00 H new ATOM 405 N LEU A 28 -7.105 1.399 1.158 1.00 0.00 N ATOM 406 CA LEU A 28 -6.097 2.445 1.360 1.00 0.00 C ATOM 407 C LEU A 28 -4.865 1.841 2.065 1.00 0.00 C ATOM 408 O LEU A 28 -4.973 1.326 3.189 1.00 0.00 O ATOM 409 CB LEU A 28 -6.670 3.644 2.190 1.00 0.00 C ATOM 410 CG LEU A 28 -7.786 4.521 1.512 1.00 0.00 C ATOM 411 CD1 LEU A 28 -9.120 3.767 1.317 1.00 0.00 C ATOM 412 CD2 LEU A 28 -8.013 5.833 2.297 1.00 0.00 C ATOM 0 H LEU A 28 -7.566 1.108 2.020 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.805 2.835 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.072 3.248 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.840 4.299 2.454 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.417 4.762 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.846 4.429 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.956 2.896 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.500 3.444 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.789 6.421 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.324 5.599 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.086 6.406 2.323 1.00 0.00 H new ATOM 424 N ILE A 29 -3.701 1.920 1.393 1.00 0.00 N ATOM 425 CA ILE A 29 -2.408 1.501 1.949 1.00 0.00 C ATOM 426 C ILE A 29 -1.818 2.679 2.746 1.00 0.00 C ATOM 427 O ILE A 29 -1.545 3.748 2.188 1.00 0.00 O ATOM 428 CB ILE A 29 -1.399 1.067 0.806 1.00 0.00 C ATOM 429 CG1 ILE A 29 -1.931 -0.177 0.023 1.00 0.00 C ATOM 430 CG2 ILE A 29 0.033 0.807 1.357 1.00 0.00 C ATOM 431 CD1 ILE A 29 -2.030 -1.455 0.843 1.00 0.00 C ATOM 0 H ILE A 29 -3.635 2.280 0.441 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.563 0.638 2.596 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.330 1.903 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.917 0.058 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.276 -0.359 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.690 0.512 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.416 1.717 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.002 0.010 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.408 -2.262 0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.043 -1.722 1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.710 -1.298 1.681 1.00 0.00 H new ATOM 443 N THR A 30 -1.692 2.488 4.066 1.00 0.00 N ATOM 444 CA THR A 30 -1.101 3.482 4.975 1.00 0.00 C ATOM 445 C THR A 30 0.413 3.251 5.070 1.00 0.00 C ATOM 446 O THR A 30 0.855 2.109 5.265 1.00 0.00 O ATOM 447 CB THR A 30 -1.747 3.380 6.397 1.00 0.00 C ATOM 448 OG1 THR A 30 -3.178 3.442 6.279 1.00 0.00 O ATOM 449 CG2 THR A 30 -1.269 4.505 7.339 1.00 0.00 C ATOM 0 H THR A 30 -1.998 1.636 4.536 1.00 0.00 H new ATOM 0 HA THR A 30 -1.294 4.480 4.581 1.00 0.00 H new ATOM 0 HB THR A 30 -1.437 2.429 6.829 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.583 3.376 7.169 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.745 4.391 8.313 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.187 4.447 7.455 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.537 5.473 6.915 1.00 0.00 H new ATOM 457 N LEU A 31 1.201 4.329 4.909 1.00 0.00 N ATOM 458 CA LEU A 31 2.665 4.252 5.031 1.00 0.00 C ATOM 459 C LEU A 31 3.103 4.162 6.506 1.00 0.00 C ATOM 460 O LEU A 31 2.432 4.682 7.410 1.00 0.00 O ATOM 461 CB LEU A 31 3.363 5.424 4.269 1.00 0.00 C ATOM 462 CG LEU A 31 2.838 6.883 4.488 1.00 0.00 C ATOM 463 CD1 LEU A 31 3.207 7.477 5.866 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.318 7.804 3.349 1.00 0.00 C ATOM 0 H LEU A 31 0.848 5.262 4.695 1.00 0.00 H new ATOM 0 HA LEU A 31 2.993 3.329 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.419 5.409 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.302 5.207 3.202 1.00 0.00 H new ATOM 0 HG LEU A 31 1.750 6.821 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.810 8.489 5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.781 6.858 6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.291 7.504 5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.945 8.814 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.408 7.819 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.942 7.431 2.396 1.00 0.00 H new ATOM 476 N LEU A 32 4.225 3.470 6.722 1.00 0.00 N ATOM 477 CA LEU A 32 4.865 3.322 8.039 1.00 0.00 C ATOM 478 C LEU A 32 6.039 4.312 8.159 1.00 0.00 C ATOM 479 O LEU A 32 6.492 4.621 9.267 1.00 0.00 O ATOM 480 CB LEU A 32 5.374 1.866 8.198 1.00 0.00 C ATOM 481 CG LEU A 32 4.306 0.742 8.018 1.00 0.00 C ATOM 482 CD1 LEU A 32 4.975 -0.647 7.946 1.00 0.00 C ATOM 483 CD2 LEU A 32 3.235 0.797 9.136 1.00 0.00 C ATOM 0 H LEU A 32 4.725 2.987 5.976 1.00 0.00 H new ATOM 0 HA LEU A 32 4.143 3.538 8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.172 1.700 7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.816 1.763 9.189 1.00 0.00 H new ATOM 0 HG LEU A 32 3.795 0.915 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.210 -1.413 7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.661 -0.677 7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.527 -0.833 8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.506 0.001 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.715 0.666 10.106 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.729 1.762 9.108 1.00 0.00 H new ATOM 495 N GLN A 33 6.514 4.798 6.997 1.00 0.00 N ATOM 496 CA GLN A 33 7.705 5.645 6.898 1.00 0.00 C ATOM 497 C GLN A 33 7.611 6.537 5.646 1.00 0.00 C ATOM 498 O GLN A 33 6.981 6.159 4.649 1.00 0.00 O ATOM 499 CB GLN A 33 8.982 4.754 6.825 1.00 0.00 C ATOM 500 CG GLN A 33 10.318 5.523 6.922 1.00 0.00 C ATOM 501 CD GLN A 33 11.573 4.657 6.735 1.00 0.00 C ATOM 502 OE1 GLN A 33 12.601 5.134 6.245 1.00 0.00 O ATOM 503 NE2 GLN A 33 11.521 3.395 7.147 1.00 0.00 N ATOM 0 H GLN A 33 6.074 4.609 6.096 1.00 0.00 H new ATOM 0 HA GLN A 33 7.766 6.281 7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.942 4.021 7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.967 4.198 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.323 6.312 6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.371 6.010 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.660 3.025 7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.343 2.796 7.062 1.00 0.00 H new ATOM 512 N VAL A 34 8.236 7.724 5.723 1.00 0.00 N ATOM 513 CA VAL A 34 8.441 8.624 4.577 1.00 0.00 C ATOM 514 C VAL A 34 9.966 8.841 4.361 1.00 0.00 C ATOM 515 O VAL A 34 10.567 9.764 4.928 1.00 0.00 O ATOM 516 CB VAL A 34 7.668 10.007 4.757 1.00 0.00 C ATOM 517 CG1 VAL A 34 6.149 9.836 4.487 1.00 0.00 C ATOM 518 CG2 VAL A 34 7.895 10.629 6.167 1.00 0.00 C ATOM 0 H VAL A 34 8.618 8.090 6.595 1.00 0.00 H new ATOM 0 HA VAL A 34 8.020 8.157 3.687 1.00 0.00 H new ATOM 0 HB VAL A 34 8.083 10.696 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.646 10.794 4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.998 9.482 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.734 9.111 5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.349 11.569 6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.536 9.939 6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.959 10.814 6.316 1.00 0.00 H new ATOM 528 N PRO A 35 10.650 7.933 3.582 1.00 0.00 N ATOM 529 CA PRO A 35 12.052 8.134 3.169 1.00 0.00 C ATOM 530 C PRO A 35 12.125 8.989 1.889 1.00 0.00 C ATOM 531 O PRO A 35 11.125 9.599 1.480 1.00 0.00 O ATOM 532 CB PRO A 35 12.538 6.681 2.939 1.00 0.00 C ATOM 533 CG PRO A 35 11.328 5.969 2.408 1.00 0.00 C ATOM 534 CD PRO A 35 10.119 6.642 3.051 1.00 0.00 C ATOM 0 HA PRO A 35 12.663 8.672 3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.365 6.645 2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.892 6.228 3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.281 6.040 1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.361 4.908 2.657 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.324 6.808 2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.699 6.028 3.847 1.00 0.00 H new ATOM 542 N ASP A 36 13.314 9.048 1.270 1.00 0.00 N ATOM 543 CA ASP A 36 13.495 9.693 -0.046 1.00 0.00 C ATOM 544 C ASP A 36 13.143 8.669 -1.146 1.00 0.00 C ATOM 545 O ASP A 36 13.469 7.483 -1.019 1.00 0.00 O ATOM 546 CB ASP A 36 14.950 10.221 -0.230 1.00 0.00 C ATOM 547 CG ASP A 36 15.096 11.110 -1.488 1.00 0.00 C ATOM 548 OD1 ASP A 36 14.857 12.333 -1.389 1.00 0.00 O ATOM 549 OD2 ASP A 36 15.436 10.594 -2.578 1.00 0.00 O ATOM 0 H ASP A 36 14.171 8.655 1.660 1.00 0.00 H new ATOM 0 HA ASP A 36 12.834 10.557 -0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.241 10.792 0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.635 9.376 -0.303 1.00 0.00 H new ATOM 554 N GLY A 37 12.475 9.149 -2.205 1.00 0.00 N ATOM 555 CA GLY A 37 11.978 8.302 -3.297 1.00 0.00 C ATOM 556 C GLY A 37 10.559 7.803 -3.027 1.00 0.00 C ATOM 557 O GLY A 37 10.090 7.825 -1.877 1.00 0.00 O ATOM 0 H GLY A 37 12.264 10.139 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.994 8.865 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.644 7.449 -3.428 1.00 0.00 H new ATOM 561 N GLY A 38 9.866 7.359 -4.094 1.00 0.00 N ATOM 562 CA GLY A 38 8.487 6.866 -4.006 1.00 0.00 C ATOM 563 C GLY A 38 8.417 5.382 -3.657 1.00 0.00 C ATOM 564 O GLY A 38 7.872 4.576 -4.426 1.00 0.00 O ATOM 0 H GLY A 38 10.251 7.334 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.947 7.439 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.982 7.036 -4.957 1.00 0.00 H new ATOM 568 N TRP A 39 9.002 5.022 -2.510 1.00 0.00 N ATOM 569 CA TRP A 39 8.961 3.663 -1.956 1.00 0.00 C ATOM 570 C TRP A 39 8.549 3.767 -0.484 1.00 0.00 C ATOM 571 O TRP A 39 9.368 4.113 0.373 1.00 0.00 O ATOM 572 CB TRP A 39 10.337 2.955 -2.092 1.00 0.00 C ATOM 573 CG TRP A 39 10.812 2.783 -3.520 1.00 0.00 C ATOM 574 CD1 TRP A 39 11.691 3.577 -4.206 1.00 0.00 C ATOM 575 CD2 TRP A 39 10.411 1.755 -4.436 1.00 0.00 C ATOM 576 NE1 TRP A 39 11.866 3.095 -5.475 1.00 0.00 N ATOM 577 CE2 TRP A 39 11.094 1.979 -5.641 1.00 0.00 C ATOM 578 CE3 TRP A 39 9.545 0.660 -4.344 1.00 0.00 C ATOM 579 CZ2 TRP A 39 10.940 1.153 -6.751 1.00 0.00 C ATOM 580 CZ3 TRP A 39 9.391 -0.158 -5.446 1.00 0.00 C ATOM 581 CH2 TRP A 39 10.086 0.089 -6.637 1.00 0.00 C ATOM 0 H TRP A 39 9.526 5.677 -1.930 1.00 0.00 H new ATOM 0 HA TRP A 39 8.240 3.062 -2.510 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.083 3.527 -1.540 1.00 0.00 H new ATOM 0 HB3 TRP A 39 10.275 1.974 -1.621 1.00 0.00 H new ATOM 0 HD1 TRP A 39 12.175 4.455 -3.805 1.00 0.00 H new ATOM 0 HE1 TRP A 39 12.475 3.503 -6.184 1.00 0.00 H new ATOM 0 HE3 TRP A 39 9.008 0.458 -3.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.475 1.345 -7.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 8.722 -1.004 -5.389 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.946 -0.571 -7.480 1.00 0.00 H new ATOM 592 N TRP A 40 7.263 3.520 -0.209 1.00 0.00 N ATOM 593 CA TRP A 40 6.686 3.629 1.144 1.00 0.00 C ATOM 594 C TRP A 40 6.274 2.240 1.635 1.00 0.00 C ATOM 595 O TRP A 40 5.813 1.408 0.844 1.00 0.00 O ATOM 596 CB TRP A 40 5.465 4.589 1.151 1.00 0.00 C ATOM 597 CG TRP A 40 5.789 6.024 0.802 1.00 0.00 C ATOM 598 CD1 TRP A 40 6.963 6.687 1.029 1.00 0.00 C ATOM 599 CD2 TRP A 40 4.899 6.977 0.209 1.00 0.00 C ATOM 600 NE1 TRP A 40 6.862 7.980 0.591 1.00 0.00 N ATOM 601 CE2 TRP A 40 5.607 8.185 0.089 1.00 0.00 C ATOM 602 CE3 TRP A 40 3.578 6.920 -0.240 1.00 0.00 C ATOM 603 CZ2 TRP A 40 5.036 9.328 -0.453 1.00 0.00 C ATOM 604 CZ3 TRP A 40 3.007 8.058 -0.771 1.00 0.00 C ATOM 605 CH2 TRP A 40 3.737 9.249 -0.878 1.00 0.00 C ATOM 0 H TRP A 40 6.587 3.237 -0.919 1.00 0.00 H new ATOM 0 HA TRP A 40 7.439 4.042 1.815 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.723 4.216 0.445 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.006 4.564 2.139 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.841 6.254 1.486 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.604 8.679 0.633 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.014 6.002 -0.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.597 10.247 -0.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.982 8.030 -1.109 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.266 10.122 -1.304 1.00 0.00 H new ATOM 616 N GLU A 41 6.416 2.010 2.946 1.00 0.00 N ATOM 617 CA GLU A 41 6.146 0.707 3.565 1.00 0.00 C ATOM 618 C GLU A 41 4.675 0.639 3.992 1.00 0.00 C ATOM 619 O GLU A 41 4.238 1.436 4.812 1.00 0.00 O ATOM 620 CB GLU A 41 7.049 0.513 4.812 1.00 0.00 C ATOM 621 CG GLU A 41 8.561 0.668 4.567 1.00 0.00 C ATOM 622 CD GLU A 41 9.393 0.499 5.856 1.00 0.00 C ATOM 623 OE1 GLU A 41 9.353 1.402 6.720 1.00 0.00 O ATOM 624 OE2 GLU A 41 10.063 -0.544 6.028 1.00 0.00 O ATOM 0 H GLU A 41 6.722 2.723 3.608 1.00 0.00 H new ATOM 0 HA GLU A 41 6.358 -0.080 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.747 1.232 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.865 -0.480 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.883 -0.069 3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.757 1.651 4.139 1.00 0.00 H new ATOM 631 N GLY A 42 3.919 -0.291 3.406 1.00 0.00 N ATOM 632 CA GLY A 42 2.566 -0.602 3.866 1.00 0.00 C ATOM 633 C GLY A 42 2.571 -1.793 4.807 1.00 0.00 C ATOM 634 O GLY A 42 3.590 -2.489 4.922 1.00 0.00 O ATOM 0 H GLY A 42 4.225 -0.845 2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.142 0.265 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.927 -0.814 3.009 1.00 0.00 H new ATOM 638 N GLU A 43 1.439 -2.038 5.476 1.00 0.00 N ATOM 639 CA GLU A 43 1.284 -3.179 6.396 1.00 0.00 C ATOM 640 C GLU A 43 -0.173 -3.647 6.417 1.00 0.00 C ATOM 641 O GLU A 43 -1.090 -2.833 6.273 1.00 0.00 O ATOM 642 CB GLU A 43 1.750 -2.795 7.826 1.00 0.00 C ATOM 643 CG GLU A 43 1.693 -3.944 8.866 1.00 0.00 C ATOM 644 CD GLU A 43 2.301 -3.559 10.228 1.00 0.00 C ATOM 645 OE1 GLU A 43 1.594 -2.954 11.065 1.00 0.00 O ATOM 646 OE2 GLU A 43 3.490 -3.859 10.464 1.00 0.00 O ATOM 0 H GLU A 43 0.605 -1.456 5.398 1.00 0.00 H new ATOM 0 HA GLU A 43 1.909 -3.998 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.774 -2.426 7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.133 -1.971 8.184 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.655 -4.244 9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.223 -4.810 8.470 1.00 0.00 H new ATOM 653 N LYS A 44 -0.369 -4.961 6.593 1.00 0.00 N ATOM 654 CA LYS A 44 -1.702 -5.585 6.639 1.00 0.00 C ATOM 655 C LYS A 44 -2.122 -5.966 8.074 1.00 0.00 C ATOM 656 O LYS A 44 -1.388 -5.745 9.045 1.00 0.00 O ATOM 657 CB LYS A 44 -1.727 -6.859 5.755 1.00 0.00 C ATOM 658 CG LYS A 44 -1.485 -6.616 4.256 1.00 0.00 C ATOM 659 CD LYS A 44 -1.762 -7.865 3.364 1.00 0.00 C ATOM 660 CE LYS A 44 -3.266 -8.156 3.136 1.00 0.00 C ATOM 661 NZ LYS A 44 -3.991 -8.540 4.373 1.00 0.00 N ATOM 0 H LYS A 44 0.396 -5.626 6.708 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.409 -4.846 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.970 -7.552 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.693 -7.348 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.120 -5.795 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.452 -6.299 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.280 -7.722 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.300 -8.738 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.738 -7.272 2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.366 -8.957 2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.785 -9.166 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.342 -9.038 5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.354 -7.686 4.842 1.00 0.00 H new ATOM 675 N GLU A 45 -3.314 -6.589 8.158 1.00 0.00 N ATOM 676 CA GLU A 45 -3.908 -7.132 9.395 1.00 0.00 C ATOM 677 C GLU A 45 -2.986 -8.217 9.980 1.00 0.00 C ATOM 678 O GLU A 45 -2.867 -8.378 11.202 1.00 0.00 O ATOM 679 CB GLU A 45 -5.311 -7.769 9.121 1.00 0.00 C ATOM 680 CG GLU A 45 -6.278 -6.977 8.197 1.00 0.00 C ATOM 681 CD GLU A 45 -5.988 -7.147 6.683 1.00 0.00 C ATOM 682 OE1 GLU A 45 -6.368 -8.184 6.106 1.00 0.00 O ATOM 683 OE2 GLU A 45 -5.349 -6.261 6.067 1.00 0.00 O ATOM 0 H GLU A 45 -3.908 -6.732 7.341 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.024 -6.307 10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.156 -8.755 8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.807 -7.921 10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.300 -7.298 8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.220 -5.918 8.451 1.00 0.00 H new ATOM 690 N ASP A 46 -2.321 -8.939 9.054 1.00 0.00 N ATOM 691 CA ASP A 46 -1.387 -10.045 9.347 1.00 0.00 C ATOM 692 C ASP A 46 -0.209 -9.589 10.232 1.00 0.00 C ATOM 693 O ASP A 46 0.385 -10.400 10.958 1.00 0.00 O ATOM 694 CB ASP A 46 -0.835 -10.625 8.016 1.00 0.00 C ATOM 695 CG ASP A 46 -1.943 -10.988 7.015 1.00 0.00 C ATOM 696 OD1 ASP A 46 -2.377 -10.105 6.242 1.00 0.00 O ATOM 697 OD2 ASP A 46 -2.419 -12.143 7.019 1.00 0.00 O ATOM 0 H ASP A 46 -2.422 -8.763 8.054 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.940 -10.808 9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.164 -9.897 7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.242 -11.514 8.231 1.00 0.00 H new ATOM 702 N GLY A 47 0.111 -8.284 10.159 1.00 0.00 N ATOM 703 CA GLY A 47 1.287 -7.726 10.831 1.00 0.00 C ATOM 704 C GLY A 47 2.504 -7.693 9.913 1.00 0.00 C ATOM 705 O GLY A 47 3.517 -7.059 10.232 1.00 0.00 O ATOM 0 H GLY A 47 -0.435 -7.598 9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.064 -6.716 11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.516 -8.320 11.716 1.00 0.00 H new ATOM 709 N LEU A 48 2.388 -8.385 8.759 1.00 0.00 N ATOM 710 CA LEU A 48 3.420 -8.415 7.722 1.00 0.00 C ATOM 711 C LEU A 48 3.451 -7.065 7.004 1.00 0.00 C ATOM 712 O LEU A 48 2.400 -6.544 6.605 1.00 0.00 O ATOM 713 CB LEU A 48 3.143 -9.563 6.714 1.00 0.00 C ATOM 714 CG LEU A 48 3.095 -11.008 7.309 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.774 -12.050 6.214 1.00 0.00 C ATOM 716 CD2 LEU A 48 4.407 -11.360 8.050 1.00 0.00 C ATOM 0 H LEU A 48 1.565 -8.941 8.527 1.00 0.00 H new ATOM 0 HA LEU A 48 4.390 -8.599 8.183 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.191 -9.364 6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.913 -9.535 5.943 1.00 0.00 H new ATOM 0 HG LEU A 48 2.289 -11.035 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.747 -13.046 6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.805 -11.824 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.544 -12.016 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.338 -12.371 8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.245 -11.301 7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.564 -10.656 8.867 1.00 0.00 H new ATOM 728 N ARG A 49 4.655 -6.513 6.864 1.00 0.00 N ATOM 729 CA ARG A 49 4.896 -5.235 6.189 1.00 0.00 C ATOM 730 C ARG A 49 5.788 -5.447 4.958 1.00 0.00 C ATOM 731 O ARG A 49 6.482 -6.469 4.836 1.00 0.00 O ATOM 732 CB ARG A 49 5.536 -4.222 7.172 1.00 0.00 C ATOM 733 CG ARG A 49 6.858 -4.689 7.817 1.00 0.00 C ATOM 734 CD ARG A 49 7.405 -3.668 8.826 1.00 0.00 C ATOM 735 NE ARG A 49 6.395 -3.312 9.839 1.00 0.00 N ATOM 736 CZ ARG A 49 6.506 -2.321 10.732 1.00 0.00 C ATOM 737 NH1 ARG A 49 7.624 -1.620 10.837 1.00 0.00 N ATOM 738 NH2 ARG A 49 5.490 -2.039 11.518 1.00 0.00 N ATOM 0 H ARG A 49 5.506 -6.947 7.222 1.00 0.00 H new ATOM 0 HA ARG A 49 3.943 -4.825 5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.718 -3.288 6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.819 -4.004 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.698 -5.643 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.600 -4.860 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.286 -4.079 9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.725 -2.769 8.298 1.00 0.00 H new ATOM 0 HE ARG A 49 5.540 -3.867 9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.417 -1.832 10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.692 -0.868 11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.625 -2.574 11.445 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.567 -1.285 12.201 1.00 0.00 H new ATOM 752 N GLY A 50 5.752 -4.462 4.057 1.00 0.00 N ATOM 753 CA GLY A 50 6.527 -4.492 2.826 1.00 0.00 C ATOM 754 C GLY A 50 6.420 -3.187 2.067 1.00 0.00 C ATOM 755 O GLY A 50 5.439 -2.450 2.224 1.00 0.00 O ATOM 0 H GLY A 50 5.182 -3.623 4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.573 -4.693 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.178 -5.310 2.196 1.00 0.00 H new ATOM 759 N TRP A 51 7.434 -2.909 1.237 1.00 0.00 N ATOM 760 CA TRP A 51 7.489 -1.696 0.406 1.00 0.00 C ATOM 761 C TRP A 51 6.450 -1.759 -0.731 1.00 0.00 C ATOM 762 O TRP A 51 6.063 -2.847 -1.186 1.00 0.00 O ATOM 763 CB TRP A 51 8.930 -1.479 -0.148 1.00 0.00 C ATOM 764 CG TRP A 51 9.574 -2.722 -0.750 1.00 0.00 C ATOM 765 CD1 TRP A 51 10.434 -3.585 -0.118 1.00 0.00 C ATOM 766 CD2 TRP A 51 9.406 -3.245 -2.084 1.00 0.00 C ATOM 767 NE1 TRP A 51 10.797 -4.597 -0.967 1.00 0.00 N ATOM 768 CE2 TRP A 51 10.181 -4.412 -2.174 1.00 0.00 C ATOM 769 CE3 TRP A 51 8.675 -2.835 -3.209 1.00 0.00 C ATOM 770 CZ2 TRP A 51 10.249 -5.177 -3.338 1.00 0.00 C ATOM 771 CZ3 TRP A 51 8.738 -3.600 -4.362 1.00 0.00 C ATOM 772 CH2 TRP A 51 9.519 -4.757 -4.416 1.00 0.00 C ATOM 0 H TRP A 51 8.242 -3.520 1.122 1.00 0.00 H new ATOM 0 HA TRP A 51 7.237 -0.838 1.030 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.899 -0.698 -0.908 1.00 0.00 H new ATOM 0 HB3 TRP A 51 9.564 -1.113 0.660 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.775 -3.481 0.901 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.426 -5.366 -0.736 1.00 0.00 H new ATOM 0 HE3 TRP A 51 8.074 -1.939 -3.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.856 -6.069 -3.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.175 -3.297 -5.232 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.547 -5.333 -5.329 1.00 0.00 H new ATOM 783 N PHE A 52 6.003 -0.580 -1.167 1.00 0.00 N ATOM 784 CA PHE A 52 5.069 -0.420 -2.291 1.00 0.00 C ATOM 785 C PHE A 52 5.580 0.700 -3.215 1.00 0.00 C ATOM 786 O PHE A 52 6.060 1.732 -2.715 1.00 0.00 O ATOM 787 CB PHE A 52 3.624 -0.092 -1.804 1.00 0.00 C ATOM 788 CG PHE A 52 2.889 -1.276 -1.191 1.00 0.00 C ATOM 789 CD1 PHE A 52 2.280 -2.229 -2.008 1.00 0.00 C ATOM 790 CD2 PHE A 52 2.815 -1.442 0.186 1.00 0.00 C ATOM 791 CE1 PHE A 52 1.617 -3.309 -1.462 1.00 0.00 C ATOM 792 CE2 PHE A 52 2.151 -2.520 0.728 1.00 0.00 C ATOM 793 CZ PHE A 52 1.552 -3.453 -0.093 1.00 0.00 C ATOM 0 H PHE A 52 6.282 0.306 -0.745 1.00 0.00 H new ATOM 0 HA PHE A 52 5.022 -1.364 -2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.674 0.711 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.045 0.284 -2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.328 -2.120 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.283 -0.719 0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.150 -4.040 -2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.099 -2.635 1.801 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.032 -4.296 0.337 1.00 0.00 H new ATOM 803 N PRO A 53 5.509 0.507 -4.578 1.00 0.00 N ATOM 804 CA PRO A 53 5.816 1.570 -5.551 1.00 0.00 C ATOM 805 C PRO A 53 4.702 2.640 -5.548 1.00 0.00 C ATOM 806 O PRO A 53 3.557 2.359 -5.923 1.00 0.00 O ATOM 807 CB PRO A 53 5.919 0.818 -6.919 1.00 0.00 C ATOM 808 CG PRO A 53 5.903 -0.648 -6.575 1.00 0.00 C ATOM 809 CD PRO A 53 5.152 -0.759 -5.274 1.00 0.00 C ATOM 0 HA PRO A 53 6.735 2.112 -5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.086 1.077 -7.573 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.834 1.087 -7.447 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.415 -1.228 -7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.916 -1.037 -6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.077 -0.844 -5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.459 -1.635 -4.703 1.00 0.00 H new ATOM 817 N ALA A 54 5.051 3.856 -5.093 1.00 0.00 N ATOM 818 CA ALA A 54 4.098 4.973 -4.935 1.00 0.00 C ATOM 819 C ALA A 54 3.560 5.476 -6.295 1.00 0.00 C ATOM 820 O ALA A 54 2.405 5.895 -6.393 1.00 0.00 O ATOM 821 CB ALA A 54 4.747 6.122 -4.140 1.00 0.00 C ATOM 0 H ALA A 54 6.005 4.094 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 54 3.242 4.598 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.033 6.938 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.039 5.762 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.629 6.480 -4.672 1.00 0.00 H new ATOM 827 N SER A 55 4.400 5.401 -7.345 1.00 0.00 N ATOM 828 CA SER A 55 4.021 5.834 -8.709 1.00 0.00 C ATOM 829 C SER A 55 3.043 4.832 -9.374 1.00 0.00 C ATOM 830 O SER A 55 2.366 5.174 -10.357 1.00 0.00 O ATOM 831 CB SER A 55 5.279 6.014 -9.590 1.00 0.00 C ATOM 832 OG SER A 55 4.961 6.531 -10.875 1.00 0.00 O ATOM 0 H SER A 55 5.352 5.042 -7.276 1.00 0.00 H new ATOM 0 HA SER A 55 3.510 6.792 -8.619 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.977 6.686 -9.092 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.784 5.055 -9.700 1.00 0.00 H new ATOM 0 HG SER A 55 5.783 6.631 -11.400 1.00 0.00 H new ATOM 838 N TYR A 56 2.977 3.608 -8.828 1.00 0.00 N ATOM 839 CA TYR A 56 2.138 2.519 -9.360 1.00 0.00 C ATOM 840 C TYR A 56 0.657 2.758 -9.002 1.00 0.00 C ATOM 841 O TYR A 56 -0.246 2.447 -9.788 1.00 0.00 O ATOM 842 CB TYR A 56 2.643 1.172 -8.783 1.00 0.00 C ATOM 843 CG TYR A 56 2.105 -0.081 -9.472 1.00 0.00 C ATOM 844 CD1 TYR A 56 2.481 -0.383 -10.782 1.00 0.00 C ATOM 845 CD2 TYR A 56 1.242 -0.967 -8.820 1.00 0.00 C ATOM 846 CE1 TYR A 56 2.018 -1.515 -11.418 1.00 0.00 C ATOM 847 CE2 TYR A 56 0.782 -2.105 -9.456 1.00 0.00 C ATOM 848 CZ TYR A 56 1.174 -2.372 -10.752 1.00 0.00 C ATOM 849 OH TYR A 56 0.715 -3.500 -11.389 1.00 0.00 O ATOM 0 H TYR A 56 3.508 3.342 -7.998 1.00 0.00 H new ATOM 0 HA TYR A 56 2.212 2.491 -10.447 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.731 1.158 -8.839 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.378 1.127 -7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.148 0.284 -11.308 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.931 -0.760 -7.807 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.317 -1.728 -12.434 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.118 -2.783 -8.940 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.142 -3.770 -10.999 1.00 0.00 H new ATOM 859 N VAL A 57 0.426 3.323 -7.805 1.00 0.00 N ATOM 860 CA VAL A 57 -0.927 3.599 -7.269 1.00 0.00 C ATOM 861 C VAL A 57 -1.187 5.122 -7.194 1.00 0.00 C ATOM 862 O VAL A 57 -0.255 5.925 -7.332 1.00 0.00 O ATOM 863 CB VAL A 57 -1.110 2.938 -5.848 1.00 0.00 C ATOM 864 CG1 VAL A 57 -1.089 1.389 -5.943 1.00 0.00 C ATOM 865 CG2 VAL A 57 -0.039 3.459 -4.852 1.00 0.00 C ATOM 0 H VAL A 57 1.176 3.605 -7.174 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.656 3.159 -7.949 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.088 3.229 -5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.217 0.962 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.900 1.053 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.135 1.063 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.187 2.988 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.955 3.215 -5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.133 4.540 -4.750 1.00 0.00 H new ATOM 875 N GLN A 58 -2.461 5.519 -6.994 1.00 0.00 N ATOM 876 CA GLN A 58 -2.841 6.940 -6.846 1.00 0.00 C ATOM 877 C GLN A 58 -2.613 7.372 -5.390 1.00 0.00 C ATOM 878 O GLN A 58 -3.119 6.731 -4.469 1.00 0.00 O ATOM 879 CB GLN A 58 -4.319 7.164 -7.265 1.00 0.00 C ATOM 880 CG GLN A 58 -4.770 8.639 -7.250 1.00 0.00 C ATOM 881 CD GLN A 58 -6.214 8.837 -7.709 1.00 0.00 C ATOM 882 OE1 GLN A 58 -7.139 8.866 -6.900 1.00 0.00 O ATOM 883 NE2 GLN A 58 -6.416 8.934 -9.015 1.00 0.00 N ATOM 0 H GLN A 58 -3.247 4.872 -6.931 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.220 7.549 -7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.464 6.763 -8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.964 6.593 -6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.660 9.035 -6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.109 9.220 -7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.624 8.906 -9.657 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.364 9.037 -9.378 1.00 0.00 H new ATOM 892 N LEU A 59 -1.838 8.444 -5.187 1.00 0.00 N ATOM 893 CA LEU A 59 -1.474 8.918 -3.841 1.00 0.00 C ATOM 894 C LEU A 59 -2.578 9.827 -3.272 1.00 0.00 C ATOM 895 O LEU A 59 -3.193 10.608 -4.011 1.00 0.00 O ATOM 896 CB LEU A 59 -0.112 9.655 -3.896 1.00 0.00 C ATOM 897 CG LEU A 59 1.056 8.826 -4.514 1.00 0.00 C ATOM 898 CD1 LEU A 59 2.384 9.605 -4.474 1.00 0.00 C ATOM 899 CD2 LEU A 59 1.184 7.448 -3.829 1.00 0.00 C ATOM 0 H LEU A 59 -1.447 9.006 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.376 8.062 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.234 10.571 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.166 9.950 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 59 0.818 8.650 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.176 8.997 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.280 10.530 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.637 9.840 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.006 6.892 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.380 7.587 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.256 6.891 -3.957 1.00 0.00 H new ATOM 911 N LEU A 60 -2.827 9.693 -1.961 1.00 0.00 N ATOM 912 CA LEU A 60 -3.818 10.496 -1.226 1.00 0.00 C ATOM 913 C LEU A 60 -3.078 11.425 -0.245 1.00 0.00 C ATOM 914 O LEU A 60 -2.654 10.950 0.834 1.00 0.00 O ATOM 915 CB LEU A 60 -4.822 9.570 -0.490 1.00 0.00 C ATOM 916 CG LEU A 60 -5.718 8.680 -1.397 1.00 0.00 C ATOM 917 CD1 LEU A 60 -6.614 7.740 -0.566 1.00 0.00 C ATOM 918 CD2 LEU A 60 -6.558 9.551 -2.360 1.00 0.00 C ATOM 919 OXT LEU A 60 -2.888 12.618 -0.572 1.00 0.00 O ATOM 0 H LEU A 60 -2.340 9.016 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.393 11.108 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.261 8.921 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.469 10.189 0.131 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.061 8.049 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.225 7.134 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.990 7.088 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.262 8.332 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.178 8.908 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.196 10.220 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.893 10.140 -2.992 1.00 0.00 H new