USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 499 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 5 SER OG : rot 44:sc= 0.082 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 138:sc= 0.645 (180deg=-0.409) USER MOD Single : A 24 CYS SG : rot 37:sc= 1.04 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= -0.0024 (180deg=-0.0416) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= -0.33 (180deg=-0.33) USER MOD Single : A 35 ASN : amide:sc= -0.0562 K(o=-0.056,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= -0.0158 (180deg=-0.132) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.14) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0238 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -91:sc= 1.27 USER MOD Single : A 61 SER OG : rot 20:sc= 1.07 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 1.28 (180deg=0.845) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 5 -10.812 -2.305 3.848 1.00 0.00 N ATOM 46 CA SER A 5 -10.440 -0.929 3.537 1.00 0.00 C ATOM 47 C SER A 5 -9.876 -0.192 4.743 1.00 0.00 C ATOM 48 O SER A 5 -10.590 0.221 5.657 1.00 0.00 O ATOM 49 CB SER A 5 -11.594 -0.176 2.884 1.00 0.00 C ATOM 50 OG SER A 5 -12.765 -0.189 3.677 1.00 0.00 O ATOM 0 HA SER A 5 -9.631 -0.973 2.808 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.294 0.856 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.811 -0.621 1.913 1.00 0.00 H new ATOM 0 HG SER A 5 -12.529 -0.017 4.612 1.00 0.00 H new ATOM 56 N ARG A 6 -8.575 -0.017 4.697 1.00 0.00 N ATOM 57 CA ARG A 6 -7.819 0.529 5.808 1.00 0.00 C ATOM 58 C ARG A 6 -7.139 1.819 5.383 1.00 0.00 C ATOM 59 O ARG A 6 -7.218 2.200 4.218 1.00 0.00 O ATOM 60 CB ARG A 6 -6.796 -0.505 6.269 1.00 0.00 C ATOM 61 CG ARG A 6 -5.648 -0.721 5.301 1.00 0.00 C ATOM 62 CD ARG A 6 -4.989 -2.066 5.538 1.00 0.00 C ATOM 63 NE ARG A 6 -5.883 -3.167 5.182 1.00 0.00 N ATOM 64 CZ ARG A 6 -6.052 -4.265 5.913 1.00 0.00 C ATOM 65 NH1 ARG A 6 -5.423 -4.409 7.072 1.00 0.00 N ATOM 66 NH2 ARG A 6 -6.859 -5.224 5.480 1.00 0.00 N ATOM 0 H ARG A 6 -8.005 -0.250 3.884 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.486 0.758 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.391 -0.194 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.304 -1.456 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.015 -0.667 4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.913 0.075 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.074 -2.133 4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.702 -2.153 6.586 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.413 -3.087 4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.803 -3.673 7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.560 -5.255 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.346 -5.117 4.590 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.992 -6.068 6.037 1.00 0.00 H new ATOM 80 N LEU A 7 -6.464 2.478 6.316 1.00 0.00 N ATOM 81 CA LEU A 7 -5.888 3.791 6.056 1.00 0.00 C ATOM 82 C LEU A 7 -4.416 3.668 5.653 1.00 0.00 C ATOM 83 O LEU A 7 -3.548 3.401 6.490 1.00 0.00 O ATOM 84 CB LEU A 7 -6.045 4.681 7.300 1.00 0.00 C ATOM 85 CG LEU A 7 -5.974 6.201 7.067 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.558 6.650 6.743 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.929 6.613 5.955 1.00 0.00 C ATOM 0 H LEU A 7 -6.302 2.125 7.259 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.421 4.253 5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.003 4.451 7.766 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.269 4.408 8.015 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.275 6.693 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.546 7.728 6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.897 6.397 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.214 6.147 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.867 7.691 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.657 6.100 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.948 6.344 6.232 1.00 0.00 H new ATOM 99 N TRP A 8 -4.159 3.861 4.365 1.00 0.00 N ATOM 100 CA TRP A 8 -2.807 3.819 3.814 1.00 0.00 C ATOM 101 C TRP A 8 -2.200 5.214 3.798 1.00 0.00 C ATOM 102 O TRP A 8 -2.925 6.206 3.719 1.00 0.00 O ATOM 103 CB TRP A 8 -2.832 3.274 2.382 1.00 0.00 C ATOM 104 CG TRP A 8 -3.404 1.897 2.264 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.714 1.542 2.374 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.681 0.695 1.992 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.851 0.188 2.202 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.616 -0.356 1.960 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.332 0.405 1.771 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -3.245 -1.674 1.718 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.964 -0.901 1.530 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.916 -1.928 1.505 1.00 0.00 C ATOM 0 H TRP A 8 -4.882 4.051 3.671 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.205 3.164 4.444 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.412 3.952 1.756 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.815 3.269 1.989 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.526 2.227 2.568 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.729 -0.330 2.247 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.591 1.190 1.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.977 -2.468 1.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.076 -1.137 1.358 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.595 -2.941 1.314 1.00 0.00 H new ATOM 123 N VAL A 9 -0.879 5.288 3.872 1.00 0.00 N ATOM 124 CA VAL A 9 -0.169 6.566 3.810 1.00 0.00 C ATOM 125 C VAL A 9 1.040 6.441 2.886 1.00 0.00 C ATOM 126 O VAL A 9 1.687 5.395 2.847 1.00 0.00 O ATOM 127 CB VAL A 9 0.315 7.017 5.211 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.986 8.383 5.138 1.00 0.00 C ATOM 129 CG2 VAL A 9 -0.836 7.045 6.206 1.00 0.00 C ATOM 0 H VAL A 9 -0.271 4.476 3.976 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.865 7.312 3.426 1.00 0.00 H new ATOM 0 HB VAL A 9 1.048 6.289 5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.318 8.679 6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.845 8.331 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.276 9.118 4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.467 7.365 7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.599 7.742 5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.268 6.048 6.291 1.00 0.00 H new ATOM 139 N ASP A 10 1.337 7.495 2.125 1.00 0.00 N ATOM 140 CA ASP A 10 2.517 7.479 1.262 1.00 0.00 C ATOM 141 C ASP A 10 3.764 7.910 2.029 1.00 0.00 C ATOM 142 O ASP A 10 3.682 8.258 3.206 1.00 0.00 O ATOM 143 CB ASP A 10 2.334 8.383 0.040 1.00 0.00 C ATOM 144 CG ASP A 10 2.485 9.853 0.366 1.00 0.00 C ATOM 145 OD1 ASP A 10 1.567 10.422 0.978 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.527 10.445 0.007 1.00 0.00 O ATOM 0 H ASP A 10 0.789 8.354 2.088 1.00 0.00 H new ATOM 0 HA ASP A 10 2.644 6.452 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.064 8.108 -0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.347 8.211 -0.388 1.00 0.00 H new ATOM 151 N ARG A 11 4.907 7.901 1.355 1.00 0.00 N ATOM 152 CA ARG A 11 6.181 8.236 1.982 1.00 0.00 C ATOM 153 C ARG A 11 6.169 9.650 2.555 1.00 0.00 C ATOM 154 O ARG A 11 6.674 9.891 3.655 1.00 0.00 O ATOM 155 CB ARG A 11 7.310 8.097 0.966 1.00 0.00 C ATOM 156 CG ARG A 11 8.688 8.355 1.546 1.00 0.00 C ATOM 157 CD ARG A 11 9.768 7.875 0.602 1.00 0.00 C ATOM 158 NE ARG A 11 9.764 8.618 -0.653 1.00 0.00 N ATOM 159 CZ ARG A 11 10.181 8.121 -1.818 1.00 0.00 C ATOM 160 NH1 ARG A 11 10.515 6.840 -1.923 1.00 0.00 N ATOM 161 NH2 ARG A 11 10.226 8.905 -2.889 1.00 0.00 N ATOM 0 H ARG A 11 4.978 7.663 0.366 1.00 0.00 H new ATOM 0 HA ARG A 11 6.342 7.542 2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.285 7.092 0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.135 8.792 0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.813 9.421 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.785 7.846 2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.741 7.978 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.625 6.814 0.396 1.00 0.00 H new ATOM 0 HE ARG A 11 9.421 9.578 -0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.453 6.229 -1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.833 6.468 -2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.942 9.882 -2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.544 8.530 -3.783 1.00 0.00 H new ATOM 175 N SER A 12 5.573 10.573 1.820 1.00 0.00 N ATOM 176 CA SER A 12 5.605 11.974 2.196 1.00 0.00 C ATOM 177 C SER A 12 4.497 12.296 3.198 1.00 0.00 C ATOM 178 O SER A 12 4.556 13.302 3.905 1.00 0.00 O ATOM 179 CB SER A 12 5.467 12.843 0.946 1.00 0.00 C ATOM 180 OG SER A 12 6.379 12.425 -0.062 1.00 0.00 O ATOM 0 H SER A 12 5.061 10.377 0.960 1.00 0.00 H new ATOM 0 HA SER A 12 6.560 12.187 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.447 12.784 0.567 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.652 13.887 1.201 1.00 0.00 H new ATOM 0 HG SER A 12 6.274 12.992 -0.854 1.00 0.00 H new ATOM 186 N GLY A 13 3.498 11.424 3.262 1.00 0.00 N ATOM 187 CA GLY A 13 2.373 11.640 4.151 1.00 0.00 C ATOM 188 C GLY A 13 1.337 12.550 3.531 1.00 0.00 C ATOM 189 O GLY A 13 0.426 13.028 4.210 1.00 0.00 O ATOM 0 H GLY A 13 3.447 10.567 2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.915 10.682 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.726 12.075 5.086 1.00 0.00 H new ATOM 193 N THR A 14 1.462 12.759 2.229 1.00 0.00 N ATOM 194 CA THR A 14 0.612 13.685 1.510 1.00 0.00 C ATOM 195 C THR A 14 -0.745 13.058 1.195 1.00 0.00 C ATOM 196 O THR A 14 -1.776 13.735 1.252 1.00 0.00 O ATOM 197 CB THR A 14 1.297 14.151 0.213 1.00 0.00 C ATOM 198 OG1 THR A 14 2.591 14.685 0.524 1.00 0.00 O ATOM 199 CG2 THR A 14 0.466 15.208 -0.500 1.00 0.00 C ATOM 0 H THR A 14 2.155 12.291 1.646 1.00 0.00 H new ATOM 0 HA THR A 14 0.445 14.551 2.150 1.00 0.00 H new ATOM 0 HB THR A 14 1.397 13.292 -0.451 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.030 14.981 -0.301 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.976 15.517 -1.412 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.510 14.794 -0.752 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.336 16.071 0.153 1.00 0.00 H new ATOM 207 N PHE A 15 -0.764 11.768 0.879 1.00 0.00 N ATOM 208 CA PHE A 15 -2.030 11.117 0.607 1.00 0.00 C ATOM 209 C PHE A 15 -2.261 9.919 1.504 1.00 0.00 C ATOM 210 O PHE A 15 -1.425 9.021 1.623 1.00 0.00 O ATOM 211 CB PHE A 15 -2.223 10.763 -0.883 1.00 0.00 C ATOM 212 CG PHE A 15 -1.242 9.793 -1.492 1.00 0.00 C ATOM 213 CD1 PHE A 15 -1.428 8.421 -1.377 1.00 0.00 C ATOM 214 CD2 PHE A 15 -0.163 10.255 -2.224 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.550 7.537 -1.971 1.00 0.00 C ATOM 216 CE2 PHE A 15 0.713 9.375 -2.827 1.00 0.00 C ATOM 217 CZ PHE A 15 0.520 8.013 -2.700 1.00 0.00 C ATOM 0 H PHE A 15 0.060 11.171 0.807 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.798 11.853 0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.225 10.352 -1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.185 11.688 -1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.269 8.042 -0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.004 11.318 -2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.701 6.473 -1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.549 9.751 -3.398 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.205 7.323 -3.170 1.00 0.00 H new ATOM 227 N LYS A 16 -3.397 9.963 2.177 1.00 0.00 N ATOM 228 CA LYS A 16 -3.859 8.869 3.003 1.00 0.00 C ATOM 229 C LYS A 16 -5.158 8.342 2.420 1.00 0.00 C ATOM 230 O LYS A 16 -6.069 9.117 2.120 1.00 0.00 O ATOM 231 CB LYS A 16 -4.079 9.348 4.436 1.00 0.00 C ATOM 232 CG LYS A 16 -2.879 10.070 5.026 1.00 0.00 C ATOM 233 CD LYS A 16 -3.185 10.624 6.405 1.00 0.00 C ATOM 234 CE LYS A 16 -2.024 11.442 6.946 1.00 0.00 C ATOM 235 NZ LYS A 16 -1.672 12.578 6.051 1.00 0.00 N ATOM 0 H LYS A 16 -4.027 10.765 2.164 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.112 8.075 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.941 10.014 4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.322 8.491 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.035 9.384 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.581 10.883 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.079 11.246 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.403 9.803 7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.281 11.826 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.154 10.797 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.481 13.425 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.825 12.335 5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.464 12.769 5.404 1.00 0.00 H new ATOM 249 N VAL A 17 -5.249 7.038 2.257 1.00 0.00 N ATOM 250 CA VAL A 17 -6.387 6.454 1.568 1.00 0.00 C ATOM 251 C VAL A 17 -6.995 5.292 2.318 1.00 0.00 C ATOM 252 O VAL A 17 -6.291 4.435 2.838 1.00 0.00 O ATOM 253 CB VAL A 17 -6.029 5.980 0.145 1.00 0.00 C ATOM 254 CG1 VAL A 17 -6.422 7.040 -0.860 1.00 0.00 C ATOM 255 CG2 VAL A 17 -4.549 5.641 0.025 1.00 0.00 C ATOM 0 H VAL A 17 -4.557 6.366 2.588 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.119 7.260 1.511 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.587 5.067 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.167 6.701 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.495 7.219 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.887 7.964 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.333 5.311 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.954 6.525 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.300 4.844 0.726 1.00 0.00 H new ATOM 265 N ASP A 18 -8.316 5.285 2.355 1.00 0.00 N ATOM 266 CA ASP A 18 -9.072 4.164 2.891 1.00 0.00 C ATOM 267 C ASP A 18 -9.363 3.186 1.780 1.00 0.00 C ATOM 268 O ASP A 18 -10.201 3.429 0.914 1.00 0.00 O ATOM 269 CB ASP A 18 -10.371 4.627 3.546 1.00 0.00 C ATOM 270 CG ASP A 18 -11.151 5.616 2.696 1.00 0.00 C ATOM 271 OD1 ASP A 18 -10.657 6.745 2.489 1.00 0.00 O ATOM 272 OD2 ASP A 18 -12.264 5.278 2.240 1.00 0.00 O ATOM 0 H ASP A 18 -8.895 6.053 2.016 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.474 3.678 3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.998 3.759 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.142 5.086 4.508 1.00 0.00 H new ATOM 277 N ALA A 19 -8.657 2.079 1.806 1.00 0.00 N ATOM 278 CA ALA A 19 -8.694 1.141 0.701 1.00 0.00 C ATOM 279 C ALA A 19 -8.193 -0.229 1.110 1.00 0.00 C ATOM 280 O ALA A 19 -7.536 -0.389 2.141 1.00 0.00 O ATOM 281 CB ALA A 19 -7.859 1.676 -0.452 1.00 0.00 C ATOM 0 H ALA A 19 -8.050 1.804 2.578 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.732 1.033 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.888 0.969 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.261 2.635 -0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.828 1.808 -0.124 1.00 0.00 H new ATOM 287 N GLU A 20 -8.533 -1.217 0.307 1.00 0.00 N ATOM 288 CA GLU A 20 -8.038 -2.564 0.499 1.00 0.00 C ATOM 289 C GLU A 20 -7.028 -2.913 -0.563 1.00 0.00 C ATOM 290 O GLU A 20 -7.170 -2.522 -1.722 1.00 0.00 O ATOM 291 CB GLU A 20 -9.177 -3.571 0.456 1.00 0.00 C ATOM 292 CG GLU A 20 -9.539 -4.110 1.821 1.00 0.00 C ATOM 293 CD GLU A 20 -8.447 -4.958 2.436 1.00 0.00 C ATOM 294 OE1 GLU A 20 -7.489 -4.380 2.988 1.00 0.00 O ATOM 295 OE2 GLU A 20 -8.560 -6.198 2.387 1.00 0.00 O ATOM 0 H GLU A 20 -9.157 -1.109 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.562 -2.605 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.054 -3.100 0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.897 -4.400 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.761 -3.276 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.449 -4.704 1.740 1.00 0.00 H new ATOM 302 N PHE A 21 -6.014 -3.649 -0.160 1.00 0.00 N ATOM 303 CA PHE A 21 -5.031 -4.149 -1.107 1.00 0.00 C ATOM 304 C PHE A 21 -5.646 -5.275 -1.905 1.00 0.00 C ATOM 305 O PHE A 21 -6.246 -6.193 -1.343 1.00 0.00 O ATOM 306 CB PHE A 21 -3.763 -4.649 -0.413 1.00 0.00 C ATOM 307 CG PHE A 21 -2.816 -5.377 -1.339 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.928 -4.682 -2.141 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.826 -6.762 -1.411 1.00 0.00 C ATOM 310 CE1 PHE A 21 -1.073 -5.350 -2.991 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.972 -7.433 -2.264 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.096 -6.726 -3.054 1.00 0.00 C ATOM 0 H PHE A 21 -5.846 -3.915 0.810 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.743 -3.325 -1.760 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.243 -3.800 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.044 -5.314 0.403 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.905 -3.603 -2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.510 -7.323 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.384 -4.794 -3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.992 -8.512 -2.311 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.428 -7.248 -3.722 1.00 0.00 H new ATOM 322 N ILE A 22 -5.516 -5.193 -3.208 1.00 0.00 N ATOM 323 CA ILE A 22 -6.043 -6.224 -4.073 1.00 0.00 C ATOM 324 C ILE A 22 -4.913 -6.923 -4.815 1.00 0.00 C ATOM 325 O ILE A 22 -4.853 -8.152 -4.866 1.00 0.00 O ATOM 326 CB ILE A 22 -7.041 -5.648 -5.100 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.483 -4.236 -4.714 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.259 -6.551 -5.213 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.346 -3.569 -5.764 1.00 0.00 C ATOM 0 H ILE A 22 -5.051 -4.425 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.568 -6.940 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.534 -5.598 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.035 -4.280 -3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.600 -3.622 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.955 -6.134 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.947 -7.544 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.749 -6.624 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.624 -2.571 -5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.790 -3.494 -6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.247 -4.161 -5.925 1.00 0.00 H new ATOM 341 N GLY A 23 -4.014 -6.135 -5.387 1.00 0.00 N ATOM 342 CA GLY A 23 -2.900 -6.698 -6.125 1.00 0.00 C ATOM 343 C GLY A 23 -1.805 -5.681 -6.354 1.00 0.00 C ATOM 344 O GLY A 23 -2.081 -4.492 -6.481 1.00 0.00 O ATOM 0 H GLY A 23 -4.035 -5.116 -5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.496 -7.550 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.253 -7.074 -7.085 1.00 0.00 H new ATOM 348 N CYS A 24 -0.568 -6.138 -6.405 1.00 0.00 N ATOM 349 CA CYS A 24 0.565 -5.246 -6.583 1.00 0.00 C ATOM 350 C CYS A 24 1.381 -5.671 -7.797 1.00 0.00 C ATOM 351 O CYS A 24 1.781 -6.831 -7.913 1.00 0.00 O ATOM 352 CB CYS A 24 1.426 -5.228 -5.313 1.00 0.00 C ATOM 353 SG CYS A 24 2.979 -4.316 -5.464 1.00 0.00 S ATOM 0 H CYS A 24 -0.321 -7.124 -6.326 1.00 0.00 H new ATOM 0 HA CYS A 24 0.201 -4.234 -6.759 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.843 -4.793 -4.502 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.651 -6.256 -5.028 1.00 0.00 H new ATOM 0 HG CYS A 24 2.795 -3.266 -6.208 1.00 0.00 H new ATOM 359 N ALA A 25 1.620 -4.733 -8.706 1.00 0.00 N ATOM 360 CA ALA A 25 2.272 -5.049 -9.961 1.00 0.00 C ATOM 361 C ALA A 25 3.376 -4.051 -10.271 1.00 0.00 C ATOM 362 O ALA A 25 3.118 -2.854 -10.426 1.00 0.00 O ATOM 363 CB ALA A 25 1.250 -5.082 -11.087 1.00 0.00 C ATOM 0 H ALA A 25 1.371 -3.750 -8.593 1.00 0.00 H new ATOM 0 HA ALA A 25 2.729 -6.034 -9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.750 -5.320 -12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.498 -5.842 -10.874 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.768 -4.108 -11.170 1.00 0.00 H new ATOM 369 N LYS A 26 4.605 -4.556 -10.324 1.00 0.00 N ATOM 370 CA LYS A 26 5.767 -3.772 -10.744 1.00 0.00 C ATOM 371 C LYS A 26 5.910 -2.497 -9.902 1.00 0.00 C ATOM 372 O LYS A 26 6.147 -1.405 -10.418 1.00 0.00 O ATOM 373 CB LYS A 26 5.656 -3.451 -12.247 1.00 0.00 C ATOM 374 CG LYS A 26 6.874 -2.754 -12.847 1.00 0.00 C ATOM 375 CD LYS A 26 8.151 -3.537 -12.601 1.00 0.00 C ATOM 376 CE LYS A 26 9.349 -2.847 -13.232 1.00 0.00 C ATOM 377 NZ LYS A 26 10.626 -3.523 -12.888 1.00 0.00 N ATOM 0 H LYS A 26 4.826 -5.521 -10.077 1.00 0.00 H new ATOM 0 HA LYS A 26 6.670 -4.360 -10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.483 -4.380 -12.790 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.781 -2.821 -12.405 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.727 -2.626 -13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.971 -1.757 -12.417 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.314 -3.645 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.049 -4.542 -13.011 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.228 -2.830 -14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.387 -1.810 -12.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.417 -3.020 -13.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.755 -3.517 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.601 -4.505 -13.228 1.00 0.00 H new ATOM 391 N GLY A 27 5.748 -2.643 -8.595 1.00 0.00 N ATOM 392 CA GLY A 27 5.950 -1.523 -7.698 1.00 0.00 C ATOM 393 C GLY A 27 4.714 -0.659 -7.522 1.00 0.00 C ATOM 394 O GLY A 27 4.767 0.366 -6.847 1.00 0.00 O ATOM 0 H GLY A 27 5.481 -3.516 -8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.262 -1.899 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.764 -0.906 -8.077 1.00 0.00 H new ATOM 398 N LYS A 28 3.610 -1.050 -8.143 1.00 0.00 N ATOM 399 CA LYS A 28 2.339 -0.362 -7.949 1.00 0.00 C ATOM 400 C LYS A 28 1.413 -1.210 -7.107 1.00 0.00 C ATOM 401 O LYS A 28 1.501 -2.431 -7.125 1.00 0.00 O ATOM 402 CB LYS A 28 1.659 -0.092 -9.282 1.00 0.00 C ATOM 403 CG LYS A 28 2.410 0.866 -10.180 1.00 0.00 C ATOM 404 CD LYS A 28 2.308 2.294 -9.667 1.00 0.00 C ATOM 405 CE LYS A 28 2.966 3.292 -10.615 1.00 0.00 C ATOM 406 NZ LYS A 28 4.424 3.044 -10.780 1.00 0.00 N ATOM 0 H LYS A 28 3.568 -1.841 -8.786 1.00 0.00 H new ATOM 0 HA LYS A 28 2.547 0.584 -7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.528 -1.038 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.663 0.309 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.458 0.571 -10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.009 0.811 -11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.259 2.557 -9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.779 2.361 -8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.479 3.239 -11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.813 4.303 -10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.840 3.797 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.883 3.037 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.569 2.125 -11.244 1.00 0.00 H new ATOM 420 N ILE A 29 0.526 -0.562 -6.385 1.00 0.00 N ATOM 421 CA ILE A 29 -0.453 -1.259 -5.582 1.00 0.00 C ATOM 422 C ILE A 29 -1.860 -0.895 -6.032 1.00 0.00 C ATOM 423 O ILE A 29 -2.219 0.281 -6.091 1.00 0.00 O ATOM 424 CB ILE A 29 -0.286 -0.927 -4.085 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.060 -1.440 -3.579 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.421 -1.528 -3.272 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.371 -1.033 -2.156 1.00 0.00 C ATOM 0 H ILE A 29 0.463 0.455 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.294 -2.329 -5.718 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.316 0.156 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.073 -2.528 -3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.849 -1.070 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.284 -1.282 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.371 -1.122 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.422 -2.611 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.342 -1.434 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.391 0.054 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.603 -1.426 -1.489 1.00 0.00 H new ATOM 439 N HIS A 30 -2.638 -1.908 -6.381 1.00 0.00 N ATOM 440 CA HIS A 30 -4.036 -1.707 -6.713 1.00 0.00 C ATOM 441 C HIS A 30 -4.840 -1.717 -5.432 1.00 0.00 C ATOM 442 O HIS A 30 -4.776 -2.676 -4.654 1.00 0.00 O ATOM 443 CB HIS A 30 -4.569 -2.798 -7.646 1.00 0.00 C ATOM 444 CG HIS A 30 -3.811 -2.958 -8.928 1.00 0.00 C ATOM 445 ND1 HIS A 30 -3.837 -4.118 -9.670 1.00 0.00 N ATOM 446 CD2 HIS A 30 -3.017 -2.097 -9.609 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.099 -3.963 -10.752 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.591 -2.747 -10.739 1.00 0.00 N ATOM 0 H HIS A 30 -2.323 -2.876 -6.441 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.129 -0.753 -7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.557 -3.749 -7.113 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.610 -2.577 -7.882 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.766 -1.088 -9.317 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.938 -4.706 -11.519 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.980 -2.353 -11.454 1.00 0.00 H new ATOM 457 N LEU A 31 -5.579 -0.653 -5.215 1.00 0.00 N ATOM 458 CA LEU A 31 -6.352 -0.496 -3.998 1.00 0.00 C ATOM 459 C LEU A 31 -7.809 -0.227 -4.316 1.00 0.00 C ATOM 460 O LEU A 31 -8.131 0.534 -5.228 1.00 0.00 O ATOM 461 CB LEU A 31 -5.805 0.655 -3.153 1.00 0.00 C ATOM 462 CG LEU A 31 -4.395 0.457 -2.597 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.904 1.726 -1.913 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.370 -0.707 -1.622 1.00 0.00 C ATOM 0 H LEU A 31 -5.663 0.124 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.272 -1.427 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.813 1.562 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.485 0.823 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.728 0.232 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.899 1.564 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.887 2.544 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.574 1.979 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.359 -0.836 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.052 -0.505 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.681 -1.618 -2.134 1.00 0.00 H new ATOM 476 N HIS A 32 -8.680 -0.856 -3.560 1.00 0.00 N ATOM 477 CA HIS A 32 -10.105 -0.633 -3.688 1.00 0.00 C ATOM 478 C HIS A 32 -10.595 0.171 -2.491 1.00 0.00 C ATOM 479 O HIS A 32 -10.748 -0.367 -1.393 1.00 0.00 O ATOM 480 CB HIS A 32 -10.846 -1.974 -3.810 1.00 0.00 C ATOM 481 CG HIS A 32 -12.338 -1.847 -3.864 1.00 0.00 C ATOM 482 ND1 HIS A 32 -13.172 -2.350 -2.890 1.00 0.00 N ATOM 483 CD2 HIS A 32 -13.145 -1.282 -4.792 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.426 -2.096 -3.213 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.437 -1.449 -4.363 1.00 0.00 N ATOM 0 H HIS A 32 -8.424 -1.534 -2.842 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.311 -0.064 -4.595 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.503 -2.486 -4.709 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.576 -2.604 -2.962 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.830 -0.791 -5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -15.296 -2.371 -2.634 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -15.271 -1.126 -4.853 1.00 0.00 H new ATOM 494 N LYS A 33 -10.789 1.470 -2.702 1.00 0.00 N ATOM 495 CA LYS A 33 -11.196 2.377 -1.640 1.00 0.00 C ATOM 496 C LYS A 33 -12.587 2.039 -1.121 1.00 0.00 C ATOM 497 O LYS A 33 -13.384 1.399 -1.809 1.00 0.00 O ATOM 498 CB LYS A 33 -11.183 3.817 -2.151 1.00 0.00 C ATOM 499 CG LYS A 33 -9.903 4.198 -2.871 1.00 0.00 C ATOM 500 CD LYS A 33 -9.833 5.695 -3.106 1.00 0.00 C ATOM 501 CE LYS A 33 -9.676 6.439 -1.796 1.00 0.00 C ATOM 502 NZ LYS A 33 -9.606 7.915 -1.978 1.00 0.00 N ATOM 0 H LYS A 33 -10.669 1.919 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.487 2.267 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.026 3.961 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.331 4.493 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.043 3.879 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.849 3.674 -3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.994 5.926 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.737 6.031 -3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.514 6.197 -1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.771 6.096 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.499 8.374 -1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.791 8.152 -2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.480 8.251 -2.432 1.00 0.00 H new ATOM 516 N ALA A 34 -12.872 2.497 0.094 1.00 0.00 N ATOM 517 CA ALA A 34 -14.177 2.293 0.713 1.00 0.00 C ATOM 518 C ALA A 34 -15.244 3.106 -0.009 1.00 0.00 C ATOM 519 O ALA A 34 -16.439 2.872 0.154 1.00 0.00 O ATOM 520 CB ALA A 34 -14.124 2.663 2.185 1.00 0.00 C ATOM 0 H ALA A 34 -12.211 3.016 0.673 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.440 1.238 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -15.104 2.506 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.388 2.038 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.841 3.711 2.287 1.00 0.00 H new ATOM 526 N ASN A 35 -14.787 4.063 -0.808 1.00 0.00 N ATOM 527 CA ASN A 35 -15.658 4.862 -1.663 1.00 0.00 C ATOM 528 C ASN A 35 -16.165 4.029 -2.842 1.00 0.00 C ATOM 529 O ASN A 35 -17.168 4.362 -3.477 1.00 0.00 O ATOM 530 CB ASN A 35 -14.888 6.095 -2.157 1.00 0.00 C ATOM 531 CG ASN A 35 -15.590 6.839 -3.277 1.00 0.00 C ATOM 532 OD1 ASN A 35 -15.329 6.589 -4.452 1.00 0.00 O ATOM 533 ND2 ASN A 35 -16.486 7.745 -2.928 1.00 0.00 N ATOM 0 H ASN A 35 -13.800 4.308 -0.882 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.526 5.189 -1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.734 6.776 -1.320 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.902 5.784 -2.501 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.990 8.266 -3.645 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.674 7.923 -1.941 1.00 0.00 H new ATOM 540 N GLY A 36 -15.458 2.945 -3.133 1.00 0.00 N ATOM 541 CA GLY A 36 -15.865 2.051 -4.195 1.00 0.00 C ATOM 542 C GLY A 36 -14.937 2.127 -5.384 1.00 0.00 C ATOM 543 O GLY A 36 -14.874 1.208 -6.199 1.00 0.00 O ATOM 0 H GLY A 36 -14.604 2.669 -2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.889 1.028 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.879 2.299 -4.510 1.00 0.00 H new ATOM 547 N VAL A 37 -14.204 3.224 -5.473 1.00 0.00 N ATOM 548 CA VAL A 37 -13.305 3.445 -6.590 1.00 0.00 C ATOM 549 C VAL A 37 -12.003 2.662 -6.415 1.00 0.00 C ATOM 550 O VAL A 37 -11.493 2.506 -5.301 1.00 0.00 O ATOM 551 CB VAL A 37 -13.009 4.949 -6.776 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.298 5.507 -5.562 1.00 0.00 C ATOM 553 CG2 VAL A 37 -12.204 5.203 -8.047 1.00 0.00 C ATOM 0 H VAL A 37 -14.215 3.976 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.803 3.081 -7.489 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.962 5.468 -6.882 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.098 6.568 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.927 5.378 -4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.356 4.978 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.012 6.271 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.256 4.668 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.768 4.852 -8.911 1.00 0.00 H new ATOM 563 N LYS A 38 -11.496 2.139 -7.518 1.00 0.00 N ATOM 564 CA LYS A 38 -10.238 1.418 -7.517 1.00 0.00 C ATOM 565 C LYS A 38 -9.122 2.324 -8.005 1.00 0.00 C ATOM 566 O LYS A 38 -9.225 2.943 -9.063 1.00 0.00 O ATOM 567 CB LYS A 38 -10.346 0.161 -8.381 1.00 0.00 C ATOM 568 CG LYS A 38 -9.024 -0.559 -8.611 1.00 0.00 C ATOM 569 CD LYS A 38 -9.241 -1.941 -9.211 1.00 0.00 C ATOM 570 CE LYS A 38 -10.014 -1.879 -10.521 1.00 0.00 C ATOM 571 NZ LYS A 38 -9.217 -1.286 -11.630 1.00 0.00 N ATOM 0 H LYS A 38 -11.942 2.202 -8.433 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.005 1.106 -6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.045 -0.530 -7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.770 0.434 -9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.396 0.034 -9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.489 -0.651 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.276 -2.418 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.783 -2.564 -8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.327 -2.885 -10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.921 -1.292 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.790 -1.268 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.939 -0.316 -11.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.364 -1.860 -11.790 1.00 0.00 H new ATOM 585 N ILE A 39 -8.065 2.401 -7.221 1.00 0.00 N ATOM 586 CA ILE A 39 -6.956 3.293 -7.512 1.00 0.00 C ATOM 587 C ILE A 39 -5.649 2.521 -7.614 1.00 0.00 C ATOM 588 O ILE A 39 -5.553 1.375 -7.165 1.00 0.00 O ATOM 589 CB ILE A 39 -6.806 4.384 -6.426 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.552 3.749 -5.055 1.00 0.00 C ATOM 591 CG2 ILE A 39 -8.045 5.271 -6.386 1.00 0.00 C ATOM 592 CD1 ILE A 39 -6.239 4.755 -3.968 1.00 0.00 C ATOM 0 H ILE A 39 -7.949 1.852 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.176 3.769 -8.468 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.947 5.005 -6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.430 3.173 -4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.723 3.047 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.922 6.033 -5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.179 5.752 -7.355 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.921 4.663 -6.158 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.071 4.233 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.343 5.315 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.077 5.443 -3.857 1.00 0.00 H new ATOM 604 N ALA A 40 -4.653 3.149 -8.215 1.00 0.00 N ATOM 605 CA ALA A 40 -3.317 2.584 -8.286 1.00 0.00 C ATOM 606 C ALA A 40 -2.315 3.556 -7.694 1.00 0.00 C ATOM 607 O ALA A 40 -2.219 4.703 -8.127 1.00 0.00 O ATOM 608 CB ALA A 40 -2.933 2.255 -9.722 1.00 0.00 C ATOM 0 H ALA A 40 -4.747 4.060 -8.665 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.309 1.657 -7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.928 1.834 -9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.638 1.531 -10.130 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.958 3.164 -10.323 1.00 0.00 H new ATOM 614 N VAL A 41 -1.586 3.104 -6.694 1.00 0.00 N ATOM 615 CA VAL A 41 -0.551 3.921 -6.087 1.00 0.00 C ATOM 616 C VAL A 41 0.779 3.229 -6.268 1.00 0.00 C ATOM 617 O VAL A 41 0.825 2.044 -6.589 1.00 0.00 O ATOM 618 CB VAL A 41 -0.790 4.169 -4.579 1.00 0.00 C ATOM 619 CG1 VAL A 41 -2.233 4.577 -4.310 1.00 0.00 C ATOM 620 CG2 VAL A 41 -0.398 2.954 -3.756 1.00 0.00 C ATOM 0 H VAL A 41 -1.690 2.176 -6.283 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.566 4.893 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.151 4.997 -4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.371 4.744 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.459 5.495 -4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.903 3.784 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.577 3.157 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.994 2.096 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.659 2.736 -3.910 1.00 0.00 H new ATOM 630 N ALA A 42 1.857 3.952 -6.087 1.00 0.00 N ATOM 631 CA ALA A 42 3.159 3.340 -6.161 1.00 0.00 C ATOM 632 C ALA A 42 3.612 2.895 -4.787 1.00 0.00 C ATOM 633 O ALA A 42 3.755 3.703 -3.870 1.00 0.00 O ATOM 634 CB ALA A 42 4.173 4.280 -6.775 1.00 0.00 C ATOM 0 H ALA A 42 1.859 4.953 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 42 3.082 2.464 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.145 3.789 -6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.857 4.547 -7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.248 5.182 -6.167 1.00 0.00 H new ATOM 640 N ALA A 43 3.841 1.599 -4.666 1.00 0.00 N ATOM 641 CA ALA A 43 4.350 1.015 -3.427 1.00 0.00 C ATOM 642 C ALA A 43 5.741 1.547 -3.144 1.00 0.00 C ATOM 643 O ALA A 43 6.208 1.565 -2.013 1.00 0.00 O ATOM 644 CB ALA A 43 4.397 -0.500 -3.540 1.00 0.00 C ATOM 0 H ALA A 43 3.683 0.923 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 43 3.683 1.289 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.778 -0.923 -2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.394 -0.882 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.053 -0.783 -4.363 1.00 0.00 H new ATOM 650 N ASP A 44 6.364 2.009 -4.208 1.00 0.00 N ATOM 651 CA ASP A 44 7.748 2.454 -4.193 1.00 0.00 C ATOM 652 C ASP A 44 7.917 3.749 -3.406 1.00 0.00 C ATOM 653 O ASP A 44 9.009 4.059 -2.930 1.00 0.00 O ATOM 654 CB ASP A 44 8.220 2.647 -5.630 1.00 0.00 C ATOM 655 CG ASP A 44 9.701 2.940 -5.741 1.00 0.00 C ATOM 656 OD1 ASP A 44 10.513 2.003 -5.592 1.00 0.00 O ATOM 657 OD2 ASP A 44 10.057 4.103 -6.022 1.00 0.00 O ATOM 0 H ASP A 44 5.919 2.088 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 44 8.351 1.694 -3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.991 1.749 -6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.660 3.466 -6.082 1.00 0.00 H new ATOM 662 N LYS A 45 6.836 4.500 -3.264 1.00 0.00 N ATOM 663 CA LYS A 45 6.883 5.752 -2.523 1.00 0.00 C ATOM 664 C LYS A 45 5.804 5.776 -1.458 1.00 0.00 C ATOM 665 O LYS A 45 5.296 6.832 -1.083 1.00 0.00 O ATOM 666 CB LYS A 45 6.772 6.962 -3.467 1.00 0.00 C ATOM 667 CG LYS A 45 5.749 6.817 -4.594 1.00 0.00 C ATOM 668 CD LYS A 45 4.310 6.892 -4.100 1.00 0.00 C ATOM 669 CE LYS A 45 3.999 8.226 -3.440 1.00 0.00 C ATOM 670 NZ LYS A 45 4.205 9.374 -4.356 1.00 0.00 N ATOM 0 H LYS A 45 5.921 4.267 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 45 7.850 5.821 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.515 7.841 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.751 7.149 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.916 7.601 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.905 5.864 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.631 6.736 -4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.129 6.086 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.966 8.224 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.631 8.349 -2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.822 10.238 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.222 9.498 -4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.715 9.193 -5.255 1.00 0.00 H new ATOM 684 N LEU A 46 5.454 4.597 -0.985 1.00 0.00 N ATOM 685 CA LEU A 46 4.452 4.447 0.049 1.00 0.00 C ATOM 686 C LEU A 46 5.134 4.368 1.417 1.00 0.00 C ATOM 687 O LEU A 46 6.363 4.273 1.493 1.00 0.00 O ATOM 688 CB LEU A 46 3.668 3.175 -0.246 1.00 0.00 C ATOM 689 CG LEU A 46 2.221 3.136 0.228 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.438 4.332 -0.299 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.595 1.843 -0.254 1.00 0.00 C ATOM 0 H LEU A 46 5.856 3.717 -1.307 1.00 0.00 H new ATOM 0 HA LEU A 46 3.774 5.300 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.677 3.012 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.197 2.337 0.207 1.00 0.00 H new ATOM 0 HG LEU A 46 2.195 3.184 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.409 4.278 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.897 5.254 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.448 4.322 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.557 1.796 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.632 1.805 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.145 0.997 0.158 1.00 0.00 H new ATOM 703 N SER A 47 4.354 4.422 2.492 1.00 0.00 N ATOM 704 CA SER A 47 4.907 4.316 3.838 1.00 0.00 C ATOM 705 C SER A 47 5.341 2.883 4.114 1.00 0.00 C ATOM 706 O SER A 47 4.666 1.924 3.738 1.00 0.00 O ATOM 707 CB SER A 47 3.892 4.788 4.880 1.00 0.00 C ATOM 708 OG SER A 47 4.445 4.767 6.188 1.00 0.00 O ATOM 0 H SER A 47 3.341 4.538 2.458 1.00 0.00 H new ATOM 0 HA SER A 47 5.782 4.963 3.907 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.563 5.799 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.009 4.149 4.846 1.00 0.00 H new ATOM 0 HG SER A 47 3.774 5.075 6.832 1.00 0.00 H new ATOM 714 N ASN A 48 6.483 2.754 4.778 1.00 0.00 N ATOM 715 CA ASN A 48 7.141 1.463 4.934 1.00 0.00 C ATOM 716 C ASN A 48 6.329 0.514 5.779 1.00 0.00 C ATOM 717 O ASN A 48 6.474 -0.699 5.658 1.00 0.00 O ATOM 718 CB ASN A 48 8.533 1.622 5.530 1.00 0.00 C ATOM 719 CG ASN A 48 8.542 2.254 6.912 1.00 0.00 C ATOM 720 OD1 ASN A 48 8.325 1.579 7.917 1.00 0.00 O ATOM 721 ND2 ASN A 48 8.853 3.539 6.976 1.00 0.00 N ATOM 0 H ASN A 48 6.974 3.532 5.219 1.00 0.00 H new ATOM 0 HA ASN A 48 7.231 1.036 3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.008 0.642 5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.138 2.231 4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.920 4.003 7.882 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.026 4.065 6.119 1.00 0.00 H new ATOM 728 N GLU A 49 5.484 1.062 6.628 1.00 0.00 N ATOM 729 CA GLU A 49 4.576 0.262 7.404 1.00 0.00 C ATOM 730 C GLU A 49 3.610 -0.448 6.468 1.00 0.00 C ATOM 731 O GLU A 49 3.403 -1.668 6.550 1.00 0.00 O ATOM 732 CB GLU A 49 3.833 1.175 8.363 1.00 0.00 C ATOM 733 CG GLU A 49 4.155 0.915 9.817 1.00 0.00 C ATOM 734 CD GLU A 49 3.716 -0.460 10.269 1.00 0.00 C ATOM 735 OE1 GLU A 49 2.548 -0.607 10.680 1.00 0.00 O ATOM 736 OE2 GLU A 49 4.532 -1.401 10.215 1.00 0.00 O ATOM 0 H GLU A 49 5.412 2.066 6.794 1.00 0.00 H new ATOM 0 HA GLU A 49 5.115 -0.493 7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.074 2.211 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.761 1.054 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.229 1.020 9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.668 1.670 10.435 1.00 0.00 H new ATOM 743 N ASP A 50 3.061 0.331 5.548 1.00 0.00 N ATOM 744 CA ASP A 50 2.184 -0.159 4.533 1.00 0.00 C ATOM 745 C ASP A 50 2.874 -1.219 3.693 1.00 0.00 C ATOM 746 O ASP A 50 2.283 -2.263 3.419 1.00 0.00 O ATOM 747 CB ASP A 50 1.742 1.015 3.674 1.00 0.00 C ATOM 748 CG ASP A 50 0.993 2.069 4.469 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.635 2.776 5.268 1.00 0.00 O ATOM 750 OD2 ASP A 50 -0.235 2.197 4.294 1.00 0.00 O ATOM 0 H ASP A 50 3.225 1.337 5.498 1.00 0.00 H new ATOM 0 HA ASP A 50 1.312 -0.627 4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.616 1.469 3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.104 0.651 2.868 1.00 0.00 H new ATOM 755 N LEU A 51 4.139 -0.986 3.304 1.00 0.00 N ATOM 756 CA LEU A 51 4.843 -1.965 2.500 1.00 0.00 C ATOM 757 C LEU A 51 5.110 -3.226 3.298 1.00 0.00 C ATOM 758 O LEU A 51 4.894 -4.318 2.796 1.00 0.00 O ATOM 759 CB LEU A 51 6.156 -1.412 1.939 1.00 0.00 C ATOM 760 CG LEU A 51 6.014 -0.356 0.840 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.642 -0.424 0.188 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.283 1.029 1.389 1.00 0.00 C ATOM 0 H LEU A 51 4.673 -0.147 3.532 1.00 0.00 H new ATOM 0 HA LEU A 51 4.196 -2.207 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.728 -0.981 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.741 -2.243 1.545 1.00 0.00 H new ATOM 0 HG LEU A 51 6.758 -0.568 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.570 0.338 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.498 -1.409 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.873 -0.249 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.177 1.764 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.570 1.250 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.296 1.072 1.789 1.00 0.00 H new ATOM 774 N ALA A 52 5.518 -3.074 4.553 1.00 0.00 N ATOM 775 CA ALA A 52 5.867 -4.221 5.381 1.00 0.00 C ATOM 776 C ALA A 52 4.660 -5.126 5.556 1.00 0.00 C ATOM 777 O ALA A 52 4.787 -6.337 5.733 1.00 0.00 O ATOM 778 CB ALA A 52 6.396 -3.767 6.732 1.00 0.00 C ATOM 0 H ALA A 52 5.615 -2.171 5.017 1.00 0.00 H new ATOM 0 HA ALA A 52 6.655 -4.784 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.651 -4.639 7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.285 -3.154 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.632 -3.183 7.244 1.00 0.00 H new ATOM 784 N TYR A 53 3.488 -4.518 5.520 1.00 0.00 N ATOM 785 CA TYR A 53 2.235 -5.252 5.566 1.00 0.00 C ATOM 786 C TYR A 53 1.934 -5.950 4.230 1.00 0.00 C ATOM 787 O TYR A 53 1.632 -7.151 4.190 1.00 0.00 O ATOM 788 CB TYR A 53 1.118 -4.278 5.934 1.00 0.00 C ATOM 789 CG TYR A 53 -0.263 -4.829 5.713 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.762 -5.864 6.492 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.057 -4.323 4.700 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.022 -6.376 6.266 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.312 -4.825 4.464 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.795 -5.855 5.250 1.00 0.00 C ATOM 795 OH TYR A 53 -4.045 -6.374 5.009 1.00 0.00 O ATOM 0 H TYR A 53 3.377 -3.506 5.458 1.00 0.00 H new ATOM 0 HA TYR A 53 2.309 -6.037 6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.224 -3.997 6.982 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.234 -3.367 5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.155 -6.274 7.286 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.683 -3.519 4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.401 -7.179 6.880 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.919 -4.418 3.669 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.459 -5.895 4.261 1.00 0.00 H new ATOM 805 N VAL A 54 2.038 -5.214 3.132 1.00 0.00 N ATOM 806 CA VAL A 54 1.729 -5.782 1.826 1.00 0.00 C ATOM 807 C VAL A 54 2.777 -6.816 1.413 1.00 0.00 C ATOM 808 O VAL A 54 2.471 -7.757 0.675 1.00 0.00 O ATOM 809 CB VAL A 54 1.532 -4.691 0.748 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.622 -3.661 0.787 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.405 -5.290 -0.643 1.00 0.00 C ATOM 0 H VAL A 54 2.329 -4.237 3.117 1.00 0.00 H new ATOM 0 HA VAL A 54 0.775 -6.301 1.914 1.00 0.00 H new ATOM 0 HB VAL A 54 0.594 -4.188 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.444 -2.914 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.631 -3.177 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.584 -4.143 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.268 -4.491 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.310 -5.849 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.546 -5.960 -0.673 1.00 0.00 H new ATOM 821 N GLU A 55 4.004 -6.659 1.911 1.00 0.00 N ATOM 822 CA GLU A 55 5.008 -7.719 1.813 1.00 0.00 C ATOM 823 C GLU A 55 4.424 -9.027 2.328 1.00 0.00 C ATOM 824 O GLU A 55 4.633 -10.090 1.745 1.00 0.00 O ATOM 825 CB GLU A 55 6.252 -7.402 2.650 1.00 0.00 C ATOM 826 CG GLU A 55 6.994 -6.147 2.248 1.00 0.00 C ATOM 827 CD GLU A 55 8.299 -5.993 3.008 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.253 -5.834 4.245 1.00 0.00 O ATOM 829 OE2 GLU A 55 9.378 -6.043 2.379 1.00 0.00 O ATOM 0 H GLU A 55 4.325 -5.814 2.383 1.00 0.00 H new ATOM 0 HA GLU A 55 5.293 -7.798 0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.954 -7.310 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.938 -8.247 2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.198 -6.173 1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.363 -5.278 2.431 1.00 0.00 H new ATOM 836 N LYS A 56 3.670 -8.933 3.421 1.00 0.00 N ATOM 837 CA LYS A 56 3.120 -10.109 4.071 1.00 0.00 C ATOM 838 C LYS A 56 1.964 -10.673 3.257 1.00 0.00 C ATOM 839 O LYS A 56 1.815 -11.889 3.134 1.00 0.00 O ATOM 840 CB LYS A 56 2.667 -9.771 5.500 1.00 0.00 C ATOM 841 CG LYS A 56 3.769 -9.243 6.420 1.00 0.00 C ATOM 842 CD LYS A 56 5.027 -10.108 6.413 1.00 0.00 C ATOM 843 CE LYS A 56 5.997 -9.670 5.326 1.00 0.00 C ATOM 844 NZ LYS A 56 7.297 -10.380 5.411 1.00 0.00 N ATOM 0 H LYS A 56 3.428 -8.051 3.872 1.00 0.00 H new ATOM 0 HA LYS A 56 3.899 -10.869 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.872 -9.027 5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.237 -10.666 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.032 -8.230 6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.384 -9.181 7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.517 -10.048 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.752 -11.151 6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.550 -9.851 4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.166 -8.596 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.924 -10.048 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.738 -10.187 6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.141 -11.403 5.309 1.00 0.00 H new ATOM 858 N ILE A 57 1.155 -9.785 2.689 1.00 0.00 N ATOM 859 CA ILE A 57 0.053 -10.210 1.821 1.00 0.00 C ATOM 860 C ILE A 57 0.573 -10.934 0.580 1.00 0.00 C ATOM 861 O ILE A 57 0.002 -11.936 0.144 1.00 0.00 O ATOM 862 CB ILE A 57 -0.804 -9.022 1.332 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.220 -8.133 2.498 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.036 -9.520 0.577 1.00 0.00 C ATOM 865 CD1 ILE A 57 -2.056 -6.949 2.066 1.00 0.00 C ATOM 0 H ILE A 57 1.237 -8.775 2.810 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.558 -10.875 2.431 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.196 -8.428 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.784 -8.726 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.328 -7.774 3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.626 -8.667 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.721 -10.106 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.640 -10.142 1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.322 -6.353 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.485 -6.336 1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.964 -7.303 1.579 1.00 0.00 H new ATOM 877 N THR A 58 1.666 -10.432 0.026 1.00 0.00 N ATOM 878 CA THR A 58 2.113 -10.870 -1.292 1.00 0.00 C ATOM 879 C THR A 58 3.159 -11.977 -1.226 1.00 0.00 C ATOM 880 O THR A 58 3.087 -12.959 -1.968 1.00 0.00 O ATOM 881 CB THR A 58 2.683 -9.688 -2.099 1.00 0.00 C ATOM 882 OG1 THR A 58 3.703 -9.027 -1.339 1.00 0.00 O ATOM 883 CG2 THR A 58 1.588 -8.696 -2.457 1.00 0.00 C ATOM 0 H THR A 58 2.258 -9.726 0.463 1.00 0.00 H new ATOM 0 HA THR A 58 1.230 -11.272 -1.790 1.00 0.00 H new ATOM 0 HB THR A 58 3.110 -10.079 -3.022 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.301 -8.310 -0.806 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.016 -7.871 -3.026 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.827 -9.195 -3.057 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.134 -8.310 -1.544 1.00 0.00 H new ATOM 891 N GLY A 59 4.123 -11.823 -0.333 1.00 0.00 N ATOM 892 CA GLY A 59 5.227 -12.756 -0.270 1.00 0.00 C ATOM 893 C GLY A 59 6.478 -12.177 -0.892 1.00 0.00 C ATOM 894 O GLY A 59 7.478 -12.874 -1.065 1.00 0.00 O ATOM 0 H GLY A 59 4.161 -11.067 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.424 -13.018 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.956 -13.677 -0.785 1.00 0.00 H new ATOM 898 N PHE A 60 6.412 -10.899 -1.239 1.00 0.00 N ATOM 899 CA PHE A 60 7.554 -10.184 -1.789 1.00 0.00 C ATOM 900 C PHE A 60 8.150 -9.285 -0.717 1.00 0.00 C ATOM 901 O PHE A 60 7.633 -9.217 0.397 1.00 0.00 O ATOM 902 CB PHE A 60 7.129 -9.334 -2.990 1.00 0.00 C ATOM 903 CG PHE A 60 6.576 -10.123 -4.144 1.00 0.00 C ATOM 904 CD1 PHE A 60 7.423 -10.682 -5.086 1.00 0.00 C ATOM 905 CD2 PHE A 60 5.210 -10.297 -4.291 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.916 -11.400 -6.152 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.698 -11.014 -5.354 1.00 0.00 C ATOM 908 CZ PHE A 60 5.553 -11.566 -6.286 1.00 0.00 C ATOM 0 H PHE A 60 5.569 -10.331 -1.148 1.00 0.00 H new ATOM 0 HA PHE A 60 8.297 -10.910 -2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.377 -8.615 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.989 -8.761 -3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.491 -10.555 -4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.537 -9.866 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.587 -11.831 -6.880 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.631 -11.143 -5.456 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.156 -12.127 -7.119 1.00 0.00 H new ATOM 918 N SER A 61 9.237 -8.609 -1.042 1.00 0.00 N ATOM 919 CA SER A 61 9.821 -7.648 -0.129 1.00 0.00 C ATOM 920 C SER A 61 9.926 -6.284 -0.803 1.00 0.00 C ATOM 921 O SER A 61 10.531 -6.148 -1.873 1.00 0.00 O ATOM 922 CB SER A 61 11.196 -8.122 0.347 1.00 0.00 C ATOM 923 OG SER A 61 11.677 -7.312 1.409 1.00 0.00 O ATOM 0 H SER A 61 9.731 -8.708 -1.929 1.00 0.00 H new ATOM 0 HA SER A 61 9.174 -7.558 0.744 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.132 -9.159 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.901 -8.094 -0.484 1.00 0.00 H new ATOM 0 HG SER A 61 10.927 -6.835 1.822 1.00 0.00 H new ATOM 929 N LEU A 62 9.346 -5.280 -0.166 1.00 0.00 N ATOM 930 CA LEU A 62 9.275 -3.942 -0.728 1.00 0.00 C ATOM 931 C LEU A 62 10.306 -3.041 -0.069 1.00 0.00 C ATOM 932 O LEU A 62 10.050 -1.878 0.214 1.00 0.00 O ATOM 933 CB LEU A 62 7.864 -3.371 -0.557 1.00 0.00 C ATOM 934 CG LEU A 62 6.751 -4.258 -1.128 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.398 -3.596 -0.973 1.00 0.00 C ATOM 936 CD2 LEU A 62 7.016 -4.578 -2.592 1.00 0.00 C ATOM 0 H LEU A 62 8.912 -5.369 0.753 1.00 0.00 H new ATOM 0 HA LEU A 62 9.497 -3.993 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.676 -3.210 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.819 -2.395 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 62 6.744 -5.191 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.626 -4.245 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.198 -3.421 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.395 -2.645 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.215 -5.208 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.057 -3.652 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.967 -5.104 -2.683 1.00 0.00 H new ATOM 948 N GLU A 63 11.480 -3.607 0.135 1.00 0.00 N ATOM 949 CA GLU A 63 12.584 -2.952 0.806 1.00 0.00 C ATOM 950 C GLU A 63 12.880 -1.566 0.229 1.00 0.00 C ATOM 951 O GLU A 63 12.767 -0.563 0.932 1.00 0.00 O ATOM 952 CB GLU A 63 13.803 -3.859 0.681 1.00 0.00 C ATOM 953 CG GLU A 63 15.106 -3.214 1.089 1.00 0.00 C ATOM 954 CD GLU A 63 15.181 -2.899 2.568 1.00 0.00 C ATOM 955 OE1 GLU A 63 15.447 -3.822 3.363 1.00 0.00 O ATOM 956 OE2 GLU A 63 14.980 -1.728 2.943 1.00 0.00 O ATOM 0 H GLU A 63 11.697 -4.556 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 63 12.322 -2.792 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.644 -4.747 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.886 -4.195 -0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.930 -3.876 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.241 -2.293 0.521 1.00 0.00 H new ATOM 963 N LYS A 64 13.204 -1.506 -1.060 1.00 0.00 N ATOM 964 CA LYS A 64 13.552 -0.234 -1.693 1.00 0.00 C ATOM 965 C LYS A 64 12.312 0.641 -1.815 1.00 0.00 C ATOM 966 O LYS A 64 12.395 1.831 -2.127 1.00 0.00 O ATOM 967 CB LYS A 64 14.162 -0.459 -3.082 1.00 0.00 C ATOM 968 CG LYS A 64 13.128 -0.612 -4.185 1.00 0.00 C ATOM 969 CD LYS A 64 13.780 -0.900 -5.526 1.00 0.00 C ATOM 970 CE LYS A 64 12.776 -0.842 -6.666 1.00 0.00 C ATOM 971 NZ LYS A 64 12.288 0.543 -6.917 1.00 0.00 N ATOM 0 H LYS A 64 13.233 -2.313 -1.683 1.00 0.00 H new ATOM 0 HA LYS A 64 14.292 0.265 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.816 0.380 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.786 -1.352 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.442 -1.421 -3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.534 0.299 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.576 -0.177 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.244 -1.886 -5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.236 -1.233 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.929 -1.487 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.727 0.560 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.695 0.852 -6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.100 1.185 -7.013 1.00 0.00 H new ATOM 985 N PHE A 65 11.165 0.036 -1.548 1.00 0.00 N ATOM 986 CA PHE A 65 9.890 0.707 -1.703 1.00 0.00 C ATOM 987 C PHE A 65 9.494 1.361 -0.385 1.00 0.00 C ATOM 988 O PHE A 65 8.604 2.208 -0.336 1.00 0.00 O ATOM 989 CB PHE A 65 8.808 -0.293 -2.137 1.00 0.00 C ATOM 990 CG PHE A 65 9.121 -1.043 -3.409 1.00 0.00 C ATOM 991 CD1 PHE A 65 9.951 -2.153 -3.393 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.570 -0.646 -4.616 1.00 0.00 C ATOM 993 CE1 PHE A 65 10.224 -2.852 -4.554 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.841 -1.338 -5.780 1.00 0.00 C ATOM 995 CZ PHE A 65 9.669 -2.443 -5.750 1.00 0.00 C ATOM 0 H PHE A 65 11.095 -0.927 -1.220 1.00 0.00 H new ATOM 0 HA PHE A 65 9.984 1.472 -2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.655 -1.014 -1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.868 0.243 -2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.390 -2.476 -2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.920 0.216 -4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.870 -3.717 -4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.405 -1.015 -6.714 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.882 -2.985 -6.659 1.00 0.00 H new ATOM 1005 N LYS A 66 10.183 0.968 0.682 1.00 0.00 N ATOM 1006 CA LYS A 66 9.851 1.437 2.019 1.00 0.00 C ATOM 1007 C LYS A 66 10.242 2.894 2.211 1.00 0.00 C ATOM 1008 O LYS A 66 11.326 3.322 1.808 1.00 0.00 O ATOM 1009 CB LYS A 66 10.525 0.567 3.082 1.00 0.00 C ATOM 1010 CG LYS A 66 10.056 -0.876 3.054 1.00 0.00 C ATOM 1011 CD LYS A 66 10.643 -1.696 4.190 1.00 0.00 C ATOM 1012 CE LYS A 66 12.163 -1.687 4.178 1.00 0.00 C ATOM 1013 NZ LYS A 66 12.729 -2.693 5.114 1.00 0.00 N ATOM 0 H LYS A 66 10.975 0.326 0.645 1.00 0.00 H new ATOM 0 HA LYS A 66 8.770 1.358 2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.605 0.595 2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.327 0.988 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.968 -0.903 3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.334 -1.328 2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.286 -1.303 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.287 -2.723 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.520 -1.889 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.523 -0.695 4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.768 -2.656 5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.409 -2.485 6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.407 -3.643 4.839 1.00 0.00 H new