USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 435 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 10 SER OG : rot 180:sc= 0.133 USER MOD Single : A 16 CYS SG : rot 10:sc= -3.46! USER MOD Single : A 17 SER OG : rot 83:sc= 0.414 USER MOD Single : A 19 TYR OH : rot 180:sc=-0.000385 USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.0119 (180deg=-0.205) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0852 X(o=-0.085,f=-0.097) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0374 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.104 (180deg=-0.63) USER MOD Single : A 42 MET CE :methyl -158:sc= -0.0489 (180deg=-0.632) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0608 F(o=-1.3,f=-0.061) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.234 F(o=-1.1,f=-0.23) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.399) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.255 F(o=-3.1,f=-0.25) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 140:sc= -1.54 (180deg=-3.89!) USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0866 (180deg=-0.48) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc=-0.00147 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 1.809 -0.017 -0.652 1.00 0.00 N ATOM 86 CA PRO A 8 1.590 1.193 0.201 1.00 0.00 C ATOM 87 C PRO A 8 0.920 2.382 -0.548 1.00 0.00 C ATOM 88 O PRO A 8 0.665 2.268 -1.731 1.00 0.00 O ATOM 89 CB PRO A 8 3.002 1.511 0.725 1.00 0.00 C ATOM 90 CG PRO A 8 3.903 1.011 -0.418 1.00 0.00 C ATOM 91 CD PRO A 8 3.261 -0.326 -0.784 1.00 0.00 C ATOM 0 HA PRO A 8 0.875 1.010 1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.135 2.577 0.910 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.212 0.996 1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.910 1.702 -1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.937 0.890 -0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.521 -0.641 -1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.571 -1.126 -0.111 1.00 0.00 H new ATOM 99 N PRO A 9 0.645 3.466 0.159 1.00 0.00 N ATOM 100 CA PRO A 9 0.259 4.815 -0.378 1.00 0.00 C ATOM 101 C PRO A 9 0.721 5.294 -1.777 1.00 0.00 C ATOM 102 O PRO A 9 1.334 4.573 -2.538 1.00 0.00 O ATOM 103 CB PRO A 9 0.699 5.781 0.764 1.00 0.00 C ATOM 104 CG PRO A 9 1.413 4.882 1.804 1.00 0.00 C ATOM 105 CD PRO A 9 0.688 3.555 1.648 1.00 0.00 C ATOM 0 HA PRO A 9 -0.804 4.776 -0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.367 6.556 0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.160 6.287 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.479 4.789 1.595 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.320 5.279 2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.232 2.726 2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.306 3.567 2.095 1.00 0.00 H new ATOM 113 N SER A 10 0.400 6.537 -2.057 1.00 0.00 N ATOM 114 CA SER A 10 0.756 7.180 -3.364 1.00 0.00 C ATOM 115 C SER A 10 1.873 8.236 -3.259 1.00 0.00 C ATOM 116 O SER A 10 2.863 8.152 -3.961 1.00 0.00 O ATOM 117 CB SER A 10 -0.524 7.826 -3.941 1.00 0.00 C ATOM 118 OG SER A 10 -0.980 8.721 -2.936 1.00 0.00 O ATOM 0 H SER A 10 -0.107 7.148 -1.416 1.00 0.00 H new ATOM 0 HA SER A 10 1.149 6.401 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.313 8.354 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.278 7.072 -4.167 1.00 0.00 H new ATOM 0 HG SER A 10 -1.796 9.169 -3.243 1.00 0.00 H new ATOM 124 N ALA A 11 1.649 9.170 -2.372 1.00 0.00 N ATOM 125 CA ALA A 11 2.532 10.334 -2.044 1.00 0.00 C ATOM 126 C ALA A 11 1.526 11.378 -1.553 1.00 0.00 C ATOM 127 O ALA A 11 1.717 12.071 -0.571 1.00 0.00 O ATOM 128 CB ALA A 11 3.225 10.882 -3.271 1.00 0.00 C ATOM 0 H ALA A 11 0.800 9.167 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 11 3.318 10.068 -1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.855 11.725 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.842 10.103 -3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.479 11.214 -3.993 1.00 0.00 H new ATOM 134 N PHE A 12 0.453 11.434 -2.295 1.00 0.00 N ATOM 135 CA PHE A 12 -0.658 12.363 -2.007 1.00 0.00 C ATOM 136 C PHE A 12 -1.415 11.777 -0.847 1.00 0.00 C ATOM 137 O PHE A 12 -2.103 12.491 -0.159 1.00 0.00 O ATOM 138 CB PHE A 12 -1.486 12.467 -3.293 1.00 0.00 C ATOM 139 CG PHE A 12 -3.013 12.497 -3.235 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.733 13.249 -2.328 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.687 11.743 -4.167 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.108 13.242 -2.362 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.058 11.743 -4.198 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.778 12.487 -3.295 1.00 0.00 C ATOM 0 H PHE A 12 0.304 10.849 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.350 13.371 -1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.166 13.373 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.205 11.624 -3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.215 13.844 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.134 11.148 -4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.665 13.834 -1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.576 11.153 -4.939 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.858 12.479 -3.318 1.00 0.00 H new ATOM 154 N PHE A 13 -1.277 10.499 -0.639 1.00 0.00 N ATOM 155 CA PHE A 13 -2.003 9.883 0.499 1.00 0.00 C ATOM 156 C PHE A 13 -1.605 10.638 1.789 1.00 0.00 C ATOM 157 O PHE A 13 -2.465 11.049 2.542 1.00 0.00 O ATOM 158 CB PHE A 13 -1.616 8.410 0.581 1.00 0.00 C ATOM 159 CG PHE A 13 -2.592 7.755 1.568 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.915 7.570 1.204 1.00 0.00 C ATOM 161 CD2 PHE A 13 -2.178 7.362 2.825 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.812 7.005 2.084 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.076 6.796 3.706 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.393 6.616 3.337 1.00 0.00 C ATOM 0 H PHE A 13 -0.704 9.866 -1.197 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.083 9.950 0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.680 7.937 -0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.587 8.298 0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.247 7.871 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.148 7.498 3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.843 6.867 1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.747 6.493 4.689 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.093 6.171 4.029 1.00 0.00 H new ATOM 174 N LEU A 14 -0.316 10.807 1.998 1.00 0.00 N ATOM 175 CA LEU A 14 0.189 11.523 3.215 1.00 0.00 C ATOM 176 C LEU A 14 -0.525 12.893 3.262 1.00 0.00 C ATOM 177 O LEU A 14 -1.258 13.220 4.175 1.00 0.00 O ATOM 178 CB LEU A 14 1.745 11.739 3.123 1.00 0.00 C ATOM 179 CG LEU A 14 2.663 10.457 2.955 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.293 9.302 3.896 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.784 9.963 1.497 1.00 0.00 C ATOM 0 H LEU A 14 0.414 10.474 1.368 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.014 10.939 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.941 12.404 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.064 12.263 4.024 1.00 0.00 H new ATOM 0 HG LEU A 14 3.650 10.808 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.965 8.461 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.385 9.632 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.266 8.991 3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.427 9.084 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.796 9.704 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.215 10.752 0.880 1.00 0.00 H new ATOM 193 N PHE A 15 -0.259 13.647 2.228 1.00 0.00 N ATOM 194 CA PHE A 15 -0.828 15.011 2.029 1.00 0.00 C ATOM 195 C PHE A 15 -2.329 15.062 2.407 1.00 0.00 C ATOM 196 O PHE A 15 -2.744 15.827 3.251 1.00 0.00 O ATOM 197 CB PHE A 15 -0.541 15.327 0.551 1.00 0.00 C ATOM 198 CG PHE A 15 -1.224 16.568 -0.048 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.133 17.824 0.518 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.927 16.416 -1.230 1.00 0.00 C ATOM 201 CE1 PHE A 15 -1.744 18.892 -0.109 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.530 17.486 -1.842 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.438 18.727 -1.283 1.00 0.00 C ATOM 0 H PHE A 15 0.363 13.354 1.475 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.381 15.764 2.678 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.536 15.445 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.834 14.461 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.590 17.970 1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.003 15.437 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.675 19.875 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.076 17.346 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.908 19.574 -1.760 1.00 0.00 H new ATOM 213 N CYS A 16 -3.088 14.228 1.752 1.00 0.00 N ATOM 214 CA CYS A 16 -4.567 14.116 1.970 1.00 0.00 C ATOM 215 C CYS A 16 -4.918 13.913 3.434 1.00 0.00 C ATOM 216 O CYS A 16 -5.794 14.579 3.943 1.00 0.00 O ATOM 217 CB CYS A 16 -5.147 12.935 1.173 1.00 0.00 C ATOM 218 SG CYS A 16 -6.906 12.580 1.428 1.00 0.00 S ATOM 0 H CYS A 16 -2.730 13.589 1.042 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.998 15.057 1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.987 13.127 0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.578 12.040 1.424 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.448 13.543 2.113 1.00 0.00 H new ATOM 223 N SER A 17 -4.243 12.988 4.070 1.00 0.00 N ATOM 224 CA SER A 17 -4.519 12.722 5.510 1.00 0.00 C ATOM 225 C SER A 17 -4.531 14.039 6.294 1.00 0.00 C ATOM 226 O SER A 17 -5.432 14.329 7.057 1.00 0.00 O ATOM 227 CB SER A 17 -3.437 11.803 6.078 1.00 0.00 C ATOM 228 OG SER A 17 -3.541 10.620 5.299 1.00 0.00 O ATOM 0 H SER A 17 -3.515 12.408 3.653 1.00 0.00 H new ATOM 0 HA SER A 17 -5.493 12.241 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.447 12.252 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.603 11.599 7.136 1.00 0.00 H new ATOM 0 HG SER A 17 -3.044 10.735 4.462 1.00 0.00 H new ATOM 234 N GLU A 18 -3.488 14.778 6.042 1.00 0.00 N ATOM 235 CA GLU A 18 -3.270 16.108 6.680 1.00 0.00 C ATOM 236 C GLU A 18 -4.374 17.127 6.292 1.00 0.00 C ATOM 237 O GLU A 18 -4.673 18.048 7.027 1.00 0.00 O ATOM 238 CB GLU A 18 -1.887 16.593 6.223 1.00 0.00 C ATOM 239 CG GLU A 18 -1.465 17.874 6.976 1.00 0.00 C ATOM 240 CD GLU A 18 -0.491 17.522 8.117 1.00 0.00 C ATOM 241 OE1 GLU A 18 -0.924 16.830 9.025 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.640 17.970 8.015 1.00 0.00 O ATOM 0 H GLU A 18 -2.749 14.504 5.395 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.318 16.018 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.150 15.809 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.903 16.788 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.991 18.572 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.345 18.374 7.380 1.00 0.00 H new ATOM 249 N TYR A 19 -4.947 16.916 5.136 1.00 0.00 N ATOM 250 CA TYR A 19 -6.028 17.799 4.588 1.00 0.00 C ATOM 251 C TYR A 19 -7.473 17.505 4.977 1.00 0.00 C ATOM 252 O TYR A 19 -8.251 18.433 5.097 1.00 0.00 O ATOM 253 CB TYR A 19 -5.926 17.770 3.058 1.00 0.00 C ATOM 254 CG TYR A 19 -4.985 18.882 2.604 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.693 18.895 3.078 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.393 19.859 1.722 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.809 19.869 2.682 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.508 20.838 1.323 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.211 20.849 1.799 1.00 0.00 C ATOM 260 OH TYR A 19 -2.321 21.827 1.399 1.00 0.00 O ATOM 0 H TYR A 19 -4.702 16.138 4.524 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.834 18.769 5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.554 16.802 2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.911 17.905 2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.370 18.131 3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.405 19.858 1.344 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.798 19.867 3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.831 21.603 0.632 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.765 22.438 0.775 1.00 0.00 H new ATOM 270 N ARG A 20 -7.781 16.244 5.134 1.00 0.00 N ATOM 271 CA ARG A 20 -9.154 15.782 5.513 1.00 0.00 C ATOM 272 C ARG A 20 -10.010 16.886 6.178 1.00 0.00 C ATOM 273 O ARG A 20 -10.984 17.305 5.588 1.00 0.00 O ATOM 274 CB ARG A 20 -8.978 14.530 6.431 1.00 0.00 C ATOM 275 CG ARG A 20 -10.331 14.096 7.058 1.00 0.00 C ATOM 276 CD ARG A 20 -10.155 12.748 7.776 1.00 0.00 C ATOM 277 NE ARG A 20 -9.224 12.937 8.930 1.00 0.00 N ATOM 278 CZ ARG A 20 -9.618 12.642 10.139 1.00 0.00 C ATOM 279 NH1 ARG A 20 -10.584 13.333 10.676 1.00 0.00 N ATOM 280 NH2 ARG A 20 -9.024 11.664 10.769 1.00 0.00 N ATOM 0 H ARG A 20 -7.111 15.485 5.010 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.714 15.522 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.563 13.706 5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.263 14.754 7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.677 14.853 7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.092 14.010 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.119 12.377 8.125 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.757 12.002 7.088 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.282 13.296 8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.021 14.092 10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.903 13.115 11.620 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.269 11.149 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.315 11.415 11.715 1.00 0.00 H new ATOM 294 N PRO A 21 -9.642 17.355 7.355 1.00 0.00 N ATOM 295 CA PRO A 21 -10.468 18.329 8.113 1.00 0.00 C ATOM 296 C PRO A 21 -10.502 19.711 7.440 1.00 0.00 C ATOM 297 O PRO A 21 -11.548 20.302 7.259 1.00 0.00 O ATOM 298 CB PRO A 21 -9.821 18.319 9.494 1.00 0.00 C ATOM 299 CG PRO A 21 -8.325 18.117 9.174 1.00 0.00 C ATOM 300 CD PRO A 21 -8.387 17.016 8.105 1.00 0.00 C ATOM 0 HA PRO A 21 -11.525 18.068 8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.997 19.252 10.029 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.213 17.515 10.118 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.859 19.028 8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.756 17.806 10.050 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.511 17.031 7.457 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.437 16.022 8.550 1.00 0.00 H new ATOM 308 N LYS A 22 -9.328 20.167 7.100 1.00 0.00 N ATOM 309 CA LYS A 22 -9.124 21.487 6.435 1.00 0.00 C ATOM 310 C LYS A 22 -9.970 21.709 5.168 1.00 0.00 C ATOM 311 O LYS A 22 -10.445 22.806 4.941 1.00 0.00 O ATOM 312 CB LYS A 22 -7.606 21.577 6.156 1.00 0.00 C ATOM 313 CG LYS A 22 -7.196 22.903 5.479 1.00 0.00 C ATOM 314 CD LYS A 22 -5.650 23.014 5.561 1.00 0.00 C ATOM 315 CE LYS A 22 -5.145 24.218 4.749 1.00 0.00 C ATOM 316 NZ LYS A 22 -5.349 23.985 3.290 1.00 0.00 N ATOM 0 H LYS A 22 -8.462 19.654 7.264 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.471 22.287 7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.062 21.471 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.309 20.743 5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.527 22.921 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.668 23.749 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.343 23.117 6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.195 22.098 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.674 25.120 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.087 24.384 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.786 24.671 2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.047 23.020 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.356 24.102 3.057 1.00 0.00 H new ATOM 330 N ILE A 23 -10.169 20.682 4.379 1.00 0.00 N ATOM 331 CA ILE A 23 -10.976 20.884 3.136 1.00 0.00 C ATOM 332 C ILE A 23 -12.415 20.810 3.575 1.00 0.00 C ATOM 333 O ILE A 23 -13.226 21.635 3.229 1.00 0.00 O ATOM 334 CB ILE A 23 -10.732 19.773 2.105 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.229 19.673 1.791 1.00 0.00 C ATOM 336 CG2 ILE A 23 -11.506 20.163 0.810 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.016 18.494 0.847 1.00 0.00 C ATOM 0 H ILE A 23 -9.818 19.737 4.535 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.708 21.830 2.666 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.072 18.811 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.874 20.596 1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.658 19.533 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.356 19.395 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.569 20.250 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.135 21.118 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.956 18.404 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.360 17.577 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.580 18.657 -0.071 1.00 0.00 H new ATOM 349 N LYS A 24 -12.652 19.791 4.344 1.00 0.00 N ATOM 350 CA LYS A 24 -13.989 19.495 4.908 1.00 0.00 C ATOM 351 C LYS A 24 -14.536 20.683 5.710 1.00 0.00 C ATOM 352 O LYS A 24 -15.721 20.771 5.973 1.00 0.00 O ATOM 353 CB LYS A 24 -13.774 18.262 5.751 1.00 0.00 C ATOM 354 CG LYS A 24 -15.124 17.715 6.291 1.00 0.00 C ATOM 355 CD LYS A 24 -14.934 16.352 7.002 1.00 0.00 C ATOM 356 CE LYS A 24 -14.057 16.484 8.256 1.00 0.00 C ATOM 357 NZ LYS A 24 -13.924 15.158 8.923 1.00 0.00 N ATOM 0 H LYS A 24 -11.935 19.119 4.616 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.744 19.323 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.277 17.494 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.113 18.498 6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.558 18.433 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.829 17.603 5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.907 15.947 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.478 15.642 6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.072 16.864 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.498 17.205 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.329 15.254 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.865 14.812 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.484 14.482 8.267 1.00 0.00 H new ATOM 371 N GLY A 25 -13.634 21.558 6.058 1.00 0.00 N ATOM 372 CA GLY A 25 -13.993 22.764 6.842 1.00 0.00 C ATOM 373 C GLY A 25 -14.447 23.881 5.908 1.00 0.00 C ATOM 374 O GLY A 25 -15.445 24.532 6.147 1.00 0.00 O ATOM 0 H GLY A 25 -12.644 21.483 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.788 22.525 7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.135 23.095 7.427 1.00 0.00 H new ATOM 378 N GLU A 26 -13.684 24.058 4.863 1.00 0.00 N ATOM 379 CA GLU A 26 -13.990 25.109 3.851 1.00 0.00 C ATOM 380 C GLU A 26 -15.159 24.741 2.929 1.00 0.00 C ATOM 381 O GLU A 26 -15.997 25.565 2.617 1.00 0.00 O ATOM 382 CB GLU A 26 -12.727 25.344 3.012 1.00 0.00 C ATOM 383 CG GLU A 26 -11.554 25.712 3.947 1.00 0.00 C ATOM 384 CD GLU A 26 -11.842 27.058 4.640 1.00 0.00 C ATOM 385 OE1 GLU A 26 -11.929 28.039 3.919 1.00 0.00 O ATOM 386 OE2 GLU A 26 -11.964 27.021 5.854 1.00 0.00 O ATOM 0 H GLU A 26 -12.847 23.509 4.665 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.293 26.010 4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.484 24.448 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.898 26.144 2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.413 24.931 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.628 25.777 3.376 1.00 0.00 H new ATOM 393 N HIS A 27 -15.167 23.499 2.520 1.00 0.00 N ATOM 394 CA HIS A 27 -16.208 22.942 1.610 1.00 0.00 C ATOM 395 C HIS A 27 -16.854 21.682 2.214 1.00 0.00 C ATOM 396 O HIS A 27 -16.574 20.575 1.783 1.00 0.00 O ATOM 397 CB HIS A 27 -15.511 22.637 0.270 1.00 0.00 C ATOM 398 CG HIS A 27 -14.698 23.870 -0.130 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.195 25.025 -0.421 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.331 24.038 -0.253 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.236 25.847 -0.703 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.060 25.277 -0.614 1.00 0.00 N ATOM 0 H HIS A 27 -14.459 22.818 2.795 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.019 23.655 1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.861 21.767 0.367 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.248 22.400 -0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.594 23.268 -0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -14.387 26.880 -0.979 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.145 25.695 -0.785 1.00 0.00 H new ATOM 410 N PRO A 28 -17.706 21.865 3.200 1.00 0.00 N ATOM 411 CA PRO A 28 -18.526 20.760 3.768 1.00 0.00 C ATOM 412 C PRO A 28 -19.708 20.415 2.829 1.00 0.00 C ATOM 413 O PRO A 28 -20.822 20.197 3.261 1.00 0.00 O ATOM 414 CB PRO A 28 -18.937 21.319 5.131 1.00 0.00 C ATOM 415 CG PRO A 28 -19.154 22.821 4.812 1.00 0.00 C ATOM 416 CD PRO A 28 -17.957 23.162 3.885 1.00 0.00 C ATOM 0 HA PRO A 28 -18.008 19.807 3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.844 20.847 5.509 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.163 21.170 5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.109 22.994 4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.149 23.430 5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.203 23.954 3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.088 23.498 4.450 1.00 0.00 H new ATOM 424 N GLY A 29 -19.393 20.384 1.559 1.00 0.00 N ATOM 425 CA GLY A 29 -20.355 20.071 0.471 1.00 0.00 C ATOM 426 C GLY A 29 -19.753 19.023 -0.476 1.00 0.00 C ATOM 427 O GLY A 29 -20.436 18.542 -1.360 1.00 0.00 O ATOM 0 H GLY A 29 -18.450 20.575 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.287 19.698 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.598 20.978 -0.083 1.00 0.00 H new ATOM 431 N LEU A 30 -18.497 18.695 -0.275 1.00 0.00 N ATOM 432 CA LEU A 30 -17.812 17.687 -1.136 1.00 0.00 C ATOM 433 C LEU A 30 -18.105 16.258 -0.642 1.00 0.00 C ATOM 434 O LEU A 30 -18.571 16.052 0.462 1.00 0.00 O ATOM 435 CB LEU A 30 -16.280 17.917 -1.086 1.00 0.00 C ATOM 436 CG LEU A 30 -15.849 19.358 -1.434 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.305 19.443 -1.391 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.342 19.816 -2.820 1.00 0.00 C ATOM 0 H LEU A 30 -17.913 19.091 0.461 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.183 17.801 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.919 17.672 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.797 17.227 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.304 20.020 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.989 20.457 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.954 19.185 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.882 18.747 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.007 20.836 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.937 19.155 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.431 19.781 -2.849 1.00 0.00 H new ATOM 450 N SER A 31 -17.809 15.328 -1.510 1.00 0.00 N ATOM 451 CA SER A 31 -17.994 13.873 -1.256 1.00 0.00 C ATOM 452 C SER A 31 -16.587 13.290 -1.145 1.00 0.00 C ATOM 453 O SER A 31 -15.614 13.989 -1.346 1.00 0.00 O ATOM 454 CB SER A 31 -18.709 13.218 -2.439 1.00 0.00 C ATOM 455 OG SER A 31 -19.059 11.922 -1.977 1.00 0.00 O ATOM 0 H SER A 31 -17.426 15.533 -2.433 1.00 0.00 H new ATOM 0 HA SER A 31 -18.589 13.701 -0.359 1.00 0.00 H new ATOM 0 HB2 SER A 31 -19.592 13.786 -2.731 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.060 13.165 -3.313 1.00 0.00 H new ATOM 0 HG SER A 31 -19.528 11.437 -2.688 1.00 0.00 H new ATOM 461 N ILE A 32 -16.510 12.024 -0.843 1.00 0.00 N ATOM 462 CA ILE A 32 -15.177 11.354 -0.714 1.00 0.00 C ATOM 463 C ILE A 32 -14.520 11.159 -2.097 1.00 0.00 C ATOM 464 O ILE A 32 -13.446 10.606 -2.228 1.00 0.00 O ATOM 465 CB ILE A 32 -15.431 10.016 -0.006 1.00 0.00 C ATOM 466 CG1 ILE A 32 -14.113 9.275 0.346 1.00 0.00 C ATOM 467 CG2 ILE A 32 -16.323 9.078 -0.872 1.00 0.00 C ATOM 468 CD1 ILE A 32 -13.197 10.141 1.240 1.00 0.00 C ATOM 0 H ILE A 32 -17.314 11.418 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.480 11.963 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.949 10.260 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.345 8.341 0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.586 9.013 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.484 8.139 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.283 9.559 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.827 8.879 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.284 9.591 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.944 11.063 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.716 10.381 2.168 1.00 0.00 H new ATOM 480 N GLY A 33 -15.227 11.640 -3.077 1.00 0.00 N ATOM 481 CA GLY A 33 -14.781 11.567 -4.503 1.00 0.00 C ATOM 482 C GLY A 33 -14.477 12.980 -5.018 1.00 0.00 C ATOM 483 O GLY A 33 -13.954 13.153 -6.102 1.00 0.00 O ATOM 0 H GLY A 33 -16.129 12.098 -2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.893 10.940 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.556 11.105 -5.114 1.00 0.00 H new ATOM 487 N ASP A 34 -14.807 13.947 -4.197 1.00 0.00 N ATOM 488 CA ASP A 34 -14.598 15.384 -4.517 1.00 0.00 C ATOM 489 C ASP A 34 -13.388 15.822 -3.724 1.00 0.00 C ATOM 490 O ASP A 34 -12.470 16.390 -4.262 1.00 0.00 O ATOM 491 CB ASP A 34 -15.821 16.171 -4.088 1.00 0.00 C ATOM 492 CG ASP A 34 -17.047 15.851 -4.958 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.418 14.690 -4.991 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.554 16.794 -5.544 1.00 0.00 O ATOM 0 H ASP A 34 -15.229 13.786 -3.283 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.445 15.548 -5.584 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.048 15.948 -3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.604 17.238 -4.146 1.00 0.00 H new ATOM 499 N VAL A 35 -13.421 15.539 -2.457 1.00 0.00 N ATOM 500 CA VAL A 35 -12.297 15.892 -1.543 1.00 0.00 C ATOM 501 C VAL A 35 -11.049 15.193 -2.102 1.00 0.00 C ATOM 502 O VAL A 35 -9.938 15.673 -2.012 1.00 0.00 O ATOM 503 CB VAL A 35 -12.649 15.371 -0.132 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.457 15.542 0.826 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.838 16.154 0.443 1.00 0.00 C ATOM 0 H VAL A 35 -14.200 15.065 -2.001 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.121 16.966 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.900 14.314 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.727 15.169 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.603 14.981 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.195 16.598 0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.075 15.777 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.580 17.211 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.704 16.031 -0.208 1.00 0.00 H new ATOM 515 N ALA A 36 -11.326 14.058 -2.682 1.00 0.00 N ATOM 516 CA ALA A 36 -10.293 13.195 -3.287 1.00 0.00 C ATOM 517 C ALA A 36 -9.824 13.693 -4.645 1.00 0.00 C ATOM 518 O ALA A 36 -8.630 13.748 -4.866 1.00 0.00 O ATOM 519 CB ALA A 36 -10.895 11.806 -3.387 1.00 0.00 C ATOM 0 H ALA A 36 -12.272 13.685 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.399 13.199 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.168 11.125 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.162 11.453 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.788 11.840 -4.012 1.00 0.00 H new ATOM 525 N LYS A 37 -10.726 14.041 -5.525 1.00 0.00 N ATOM 526 CA LYS A 37 -10.257 14.534 -6.856 1.00 0.00 C ATOM 527 C LYS A 37 -9.777 15.981 -6.804 1.00 0.00 C ATOM 528 O LYS A 37 -8.968 16.387 -7.615 1.00 0.00 O ATOM 529 CB LYS A 37 -11.387 14.443 -7.895 1.00 0.00 C ATOM 530 CG LYS A 37 -11.553 12.967 -8.305 1.00 0.00 C ATOM 531 CD LYS A 37 -12.546 12.836 -9.486 1.00 0.00 C ATOM 532 CE LYS A 37 -11.953 13.516 -10.750 1.00 0.00 C ATOM 533 NZ LYS A 37 -12.800 13.246 -11.946 1.00 0.00 N ATOM 0 H LYS A 37 -11.736 14.008 -5.389 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.420 13.896 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.318 14.828 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.151 15.054 -8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.586 12.552 -8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.912 12.386 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.748 11.784 -9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.498 13.299 -9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.878 14.591 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.942 13.149 -10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.384 13.710 -12.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.851 12.220 -12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.758 13.618 -11.785 1.00 0.00 H new ATOM 547 N LYS A 38 -10.276 16.717 -5.851 1.00 0.00 N ATOM 548 CA LYS A 38 -9.892 18.134 -5.706 1.00 0.00 C ATOM 549 C LYS A 38 -8.538 18.173 -5.035 1.00 0.00 C ATOM 550 O LYS A 38 -7.659 18.827 -5.546 1.00 0.00 O ATOM 551 CB LYS A 38 -10.970 18.851 -4.865 1.00 0.00 C ATOM 552 CG LYS A 38 -10.591 20.339 -4.693 1.00 0.00 C ATOM 553 CD LYS A 38 -11.788 21.160 -4.153 1.00 0.00 C ATOM 554 CE LYS A 38 -12.882 21.314 -5.240 1.00 0.00 C ATOM 555 NZ LYS A 38 -12.326 22.001 -6.444 1.00 0.00 N ATOM 0 H LYS A 38 -10.945 16.383 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.824 18.642 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.941 18.767 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.061 18.374 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.748 20.426 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.268 20.748 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.207 20.667 -3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.445 22.144 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.268 20.333 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.721 21.885 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.105 22.398 -7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.690 22.767 -6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.795 21.317 -7.020 1.00 0.00 H new ATOM 569 N LEU A 39 -8.356 17.482 -3.938 1.00 0.00 N ATOM 570 CA LEU A 39 -7.017 17.541 -3.297 1.00 0.00 C ATOM 571 C LEU A 39 -6.105 16.532 -4.015 1.00 0.00 C ATOM 572 O LEU A 39 -4.898 16.601 -3.898 1.00 0.00 O ATOM 573 CB LEU A 39 -7.292 17.285 -1.780 1.00 0.00 C ATOM 574 CG LEU A 39 -6.711 16.013 -1.221 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.233 16.256 -0.855 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.434 15.623 0.077 1.00 0.00 C ATOM 0 H LEU A 39 -9.053 16.899 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.483 18.488 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.896 18.126 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.370 17.272 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.818 15.227 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.803 15.340 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.681 16.551 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.168 17.049 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.004 14.702 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.318 16.420 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.493 15.470 -0.129 1.00 0.00 H new ATOM 588 N GLY A 40 -6.681 15.630 -4.769 1.00 0.00 N ATOM 589 CA GLY A 40 -5.832 14.632 -5.493 1.00 0.00 C ATOM 590 C GLY A 40 -5.268 15.366 -6.701 1.00 0.00 C ATOM 591 O GLY A 40 -4.285 14.952 -7.283 1.00 0.00 O ATOM 0 H GLY A 40 -7.687 15.540 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.032 14.261 -4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.421 13.768 -5.800 1.00 0.00 H new ATOM 595 N GLU A 41 -5.925 16.449 -7.032 1.00 0.00 N ATOM 596 CA GLU A 41 -5.505 17.285 -8.174 1.00 0.00 C ATOM 597 C GLU A 41 -4.557 18.335 -7.608 1.00 0.00 C ATOM 598 O GLU A 41 -3.508 18.563 -8.175 1.00 0.00 O ATOM 599 CB GLU A 41 -6.731 17.934 -8.774 1.00 0.00 C ATOM 600 CG GLU A 41 -6.324 18.874 -9.901 1.00 0.00 C ATOM 601 CD GLU A 41 -7.577 19.550 -10.484 1.00 0.00 C ATOM 602 OE1 GLU A 41 -8.354 18.832 -11.088 1.00 0.00 O ATOM 603 OE2 GLU A 41 -7.685 20.748 -10.284 1.00 0.00 O ATOM 0 H GLU A 41 -6.752 16.788 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.010 16.708 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.408 17.169 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.273 18.487 -8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.632 19.628 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.801 18.319 -10.680 1.00 0.00 H new ATOM 610 N MET A 42 -4.938 18.945 -6.507 1.00 0.00 N ATOM 611 CA MET A 42 -4.060 19.984 -5.894 1.00 0.00 C ATOM 612 C MET A 42 -2.735 19.338 -5.565 1.00 0.00 C ATOM 613 O MET A 42 -1.724 19.995 -5.482 1.00 0.00 O ATOM 614 CB MET A 42 -4.638 20.508 -4.623 1.00 0.00 C ATOM 615 CG MET A 42 -5.870 21.383 -4.914 1.00 0.00 C ATOM 616 SD MET A 42 -6.432 22.477 -3.586 1.00 0.00 S ATOM 617 CE MET A 42 -7.152 21.216 -2.507 1.00 0.00 C ATOM 0 H MET A 42 -5.813 18.767 -6.014 1.00 0.00 H new ATOM 0 HA MET A 42 -3.955 20.809 -6.598 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.919 19.678 -3.974 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.888 21.091 -4.088 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.651 21.996 -5.788 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.696 20.726 -5.184 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.881 21.679 -1.842 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.645 20.457 -3.114 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.364 20.751 -1.914 1.00 0.00 H new ATOM 627 N TRP A 43 -2.784 18.052 -5.362 1.00 0.00 N ATOM 628 CA TRP A 43 -1.553 17.296 -5.049 1.00 0.00 C ATOM 629 C TRP A 43 -0.591 17.507 -6.206 1.00 0.00 C ATOM 630 O TRP A 43 0.579 17.792 -6.019 1.00 0.00 O ATOM 631 CB TRP A 43 -1.919 15.858 -4.928 1.00 0.00 C ATOM 632 CG TRP A 43 -0.644 15.045 -5.026 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.411 14.176 -6.027 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.392 15.048 -4.167 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.772 13.699 -5.711 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.348 14.154 -4.607 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.590 15.759 -2.995 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.509 13.977 -3.857 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.733 15.585 -2.243 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.705 14.689 -2.675 1.00 0.00 C ATOM 0 H TRP A 43 -3.635 17.492 -5.401 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.089 17.625 -4.119 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.420 15.670 -3.978 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.615 15.573 -5.717 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.036 13.933 -6.873 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.232 13.001 -6.296 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.162 16.460 -2.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.264 13.282 -4.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.872 16.140 -1.327 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.607 14.546 -2.098 1.00 0.00 H new ATOM 651 N ASN A 44 -1.161 17.360 -7.371 1.00 0.00 N ATOM 652 CA ASN A 44 -0.333 17.534 -8.591 1.00 0.00 C ATOM 653 C ASN A 44 0.090 19.004 -8.706 1.00 0.00 C ATOM 654 O ASN A 44 1.069 19.306 -9.362 1.00 0.00 O ATOM 655 CB ASN A 44 -1.159 17.078 -9.820 1.00 0.00 C ATOM 656 CG ASN A 44 -1.586 15.625 -9.560 1.00 0.00 C ATOM 657 OD1 ASN A 44 -2.852 15.313 -9.604 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -0.768 14.757 -9.315 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.143 17.132 -7.527 1.00 0.00 H new ATOM 0 HA ASN A 44 0.571 16.927 -8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.031 17.717 -9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.565 17.148 -10.731 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.225 14.988 -9.278 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.076 13.799 -9.147 1.00 0.00 H new ATOM 665 N ASN A 45 -0.674 19.861 -8.066 1.00 0.00 N ATOM 666 CA ASN A 45 -0.389 21.341 -8.080 1.00 0.00 C ATOM 667 C ASN A 45 -0.256 21.896 -6.640 1.00 0.00 C ATOM 668 O ASN A 45 -0.830 22.926 -6.329 1.00 0.00 O ATOM 669 CB ASN A 45 -1.553 22.047 -8.809 1.00 0.00 C ATOM 670 CG ASN A 45 -2.076 21.165 -9.945 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.266 20.653 -9.789 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.422 20.935 -10.943 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.497 19.596 -7.525 1.00 0.00 H new ATOM 0 HA ASN A 45 0.555 21.524 -8.594 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.357 22.261 -8.105 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.216 23.004 -9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.493 21.343 -11.049 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.802 20.334 -11.674 1.00 0.00 H new ATOM 679 N THR A 46 0.493 21.226 -5.788 1.00 0.00 N ATOM 680 CA THR A 46 0.638 21.735 -4.380 1.00 0.00 C ATOM 681 C THR A 46 1.817 22.705 -4.336 1.00 0.00 C ATOM 682 O THR A 46 1.701 23.795 -3.811 1.00 0.00 O ATOM 683 CB THR A 46 0.846 20.502 -3.412 1.00 0.00 C ATOM 684 OG1 THR A 46 0.990 21.086 -2.124 1.00 0.00 O ATOM 685 CG2 THR A 46 2.139 19.679 -3.619 1.00 0.00 C ATOM 0 H THR A 46 1.000 20.367 -6.000 1.00 0.00 H new ATOM 0 HA THR A 46 -0.254 22.269 -4.054 1.00 0.00 H new ATOM 0 HB THR A 46 0.012 19.820 -3.578 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.123 20.380 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.170 18.862 -2.898 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.153 19.272 -4.630 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.007 20.323 -3.475 1.00 0.00 H new ATOM 693 N ALA A 47 2.912 22.269 -4.893 1.00 0.00 N ATOM 694 CA ALA A 47 4.148 23.091 -4.943 1.00 0.00 C ATOM 695 C ALA A 47 5.111 22.392 -5.889 1.00 0.00 C ATOM 696 O ALA A 47 5.628 23.001 -6.804 1.00 0.00 O ATOM 697 CB ALA A 47 4.801 23.192 -3.553 1.00 0.00 C ATOM 0 H ALA A 47 3.001 21.350 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 47 3.908 24.100 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.704 23.799 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.102 23.654 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.060 22.194 -3.199 1.00 0.00 H new ATOM 703 N ALA A 48 5.282 21.126 -5.584 1.00 0.00 N ATOM 704 CA ALA A 48 6.174 20.155 -6.306 1.00 0.00 C ATOM 705 C ALA A 48 7.367 20.003 -5.350 1.00 0.00 C ATOM 706 O ALA A 48 8.013 18.976 -5.272 1.00 0.00 O ATOM 707 CB ALA A 48 6.707 20.681 -7.671 1.00 0.00 C ATOM 0 H ALA A 48 4.797 20.695 -4.797 1.00 0.00 H new ATOM 0 HA ALA A 48 5.630 19.240 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.342 19.923 -8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.867 20.898 -8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.286 21.591 -7.510 1.00 0.00 H new ATOM 713 N ASP A 49 7.585 21.085 -4.638 1.00 0.00 N ATOM 714 CA ASP A 49 8.674 21.214 -3.638 1.00 0.00 C ATOM 715 C ASP A 49 8.081 21.020 -2.229 1.00 0.00 C ATOM 716 O ASP A 49 8.712 21.307 -1.230 1.00 0.00 O ATOM 717 CB ASP A 49 9.268 22.608 -3.810 1.00 0.00 C ATOM 718 CG ASP A 49 9.682 22.793 -5.284 1.00 0.00 C ATOM 719 OD1 ASP A 49 10.662 22.166 -5.657 1.00 0.00 O ATOM 720 OD2 ASP A 49 8.990 23.544 -5.953 1.00 0.00 O ATOM 0 H ASP A 49 7.013 21.926 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 49 9.453 20.464 -3.775 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.539 23.367 -3.525 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.131 22.734 -3.157 1.00 0.00 H new ATOM 725 N ASP A 50 6.868 20.526 -2.220 1.00 0.00 N ATOM 726 CA ASP A 50 6.096 20.248 -0.971 1.00 0.00 C ATOM 727 C ASP A 50 5.656 18.782 -1.093 1.00 0.00 C ATOM 728 O ASP A 50 5.208 18.170 -0.142 1.00 0.00 O ATOM 729 CB ASP A 50 4.884 21.202 -0.907 1.00 0.00 C ATOM 730 CG ASP A 50 4.080 21.003 0.391 1.00 0.00 C ATOM 731 OD1 ASP A 50 3.314 20.053 0.431 1.00 0.00 O ATOM 732 OD2 ASP A 50 4.277 21.816 1.279 1.00 0.00 O ATOM 0 H ASP A 50 6.358 20.293 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 50 6.674 20.405 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.228 22.234 -0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.237 21.029 -1.767 1.00 0.00 H new ATOM 737 N LYS A 51 5.813 18.260 -2.286 1.00 0.00 N ATOM 738 CA LYS A 51 5.439 16.857 -2.570 1.00 0.00 C ATOM 739 C LYS A 51 6.625 16.051 -2.090 1.00 0.00 C ATOM 740 O LYS A 51 6.448 15.189 -1.265 1.00 0.00 O ATOM 741 CB LYS A 51 5.257 16.632 -4.077 1.00 0.00 C ATOM 742 CG LYS A 51 4.154 17.546 -4.615 1.00 0.00 C ATOM 743 CD LYS A 51 3.946 17.314 -6.123 1.00 0.00 C ATOM 744 CE LYS A 51 3.319 15.951 -6.354 1.00 0.00 C ATOM 745 NZ LYS A 51 3.066 15.734 -7.805 1.00 0.00 N ATOM 0 H LYS A 51 6.194 18.766 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 51 4.501 16.583 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.193 16.833 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.002 15.590 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.223 17.356 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.418 18.588 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.305 18.093 -6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.901 17.378 -6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.978 15.171 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.383 15.876 -5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.379 14.962 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.685 16.606 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.957 15.482 -8.279 1.00 0.00 H new ATOM 759 N GLN A 52 7.780 16.359 -2.632 1.00 0.00 N ATOM 760 CA GLN A 52 9.066 15.672 -2.278 1.00 0.00 C ATOM 761 C GLN A 52 9.069 14.971 -0.898 1.00 0.00 C ATOM 762 O GLN A 52 9.248 13.775 -0.872 1.00 0.00 O ATOM 763 CB GLN A 52 10.202 16.743 -2.368 1.00 0.00 C ATOM 764 CG GLN A 52 11.373 16.224 -3.235 1.00 0.00 C ATOM 765 CD GLN A 52 10.964 15.974 -4.704 1.00 0.00 C ATOM 766 OE1 GLN A 52 9.729 16.143 -5.098 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 11.787 15.608 -5.521 1.00 0.00 N flip ATOM 0 H GLN A 52 7.888 17.090 -3.335 1.00 0.00 H new ATOM 0 HA GLN A 52 9.218 14.856 -2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.807 17.665 -2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.562 16.984 -1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.188 16.947 -3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.754 15.297 -2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.758 15.469 -5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.507 15.441 -6.487 1.00 0.00 H new ATOM 776 N PRO A 53 8.873 15.681 0.196 1.00 0.00 N ATOM 777 CA PRO A 53 8.786 15.076 1.563 1.00 0.00 C ATOM 778 C PRO A 53 7.856 13.861 1.649 1.00 0.00 C ATOM 779 O PRO A 53 8.218 12.815 2.156 1.00 0.00 O ATOM 780 CB PRO A 53 8.336 16.238 2.460 1.00 0.00 C ATOM 781 CG PRO A 53 7.704 17.234 1.461 1.00 0.00 C ATOM 782 CD PRO A 53 8.669 17.155 0.276 1.00 0.00 C ATOM 0 HA PRO A 53 9.743 14.657 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.617 15.911 3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.176 16.682 2.994 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.691 16.944 1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.645 18.242 1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.239 17.565 -0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.598 17.694 0.461 1.00 0.00 H new ATOM 790 N TYR A 54 6.674 14.057 1.132 1.00 0.00 N ATOM 791 CA TYR A 54 5.633 12.981 1.137 1.00 0.00 C ATOM 792 C TYR A 54 5.971 11.914 0.091 1.00 0.00 C ATOM 793 O TYR A 54 5.967 10.729 0.360 1.00 0.00 O ATOM 794 CB TYR A 54 4.262 13.594 0.806 1.00 0.00 C ATOM 795 CG TYR A 54 3.816 14.640 1.842 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.735 14.321 3.182 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.481 15.920 1.442 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.324 15.257 4.105 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.069 16.859 2.365 1.00 0.00 C ATOM 800 CZ TYR A 54 2.987 16.535 3.706 1.00 0.00 C ATOM 801 OH TYR A 54 2.570 17.469 4.634 1.00 0.00 O ATOM 0 H TYR A 54 6.378 14.931 0.698 1.00 0.00 H new ATOM 0 HA TYR A 54 5.606 12.520 2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.304 14.059 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.517 12.800 0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.997 13.326 3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.542 16.187 0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.265 14.989 5.150 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.809 17.855 2.037 1.00 0.00 H new ATOM 0 HH TYR A 54 2.374 18.316 4.181 1.00 0.00 H new ATOM 811 N GLU A 55 6.248 12.386 -1.092 1.00 0.00 N ATOM 812 CA GLU A 55 6.597 11.479 -2.221 1.00 0.00 C ATOM 813 C GLU A 55 7.756 10.523 -1.905 1.00 0.00 C ATOM 814 O GLU A 55 7.594 9.322 -2.004 1.00 0.00 O ATOM 815 CB GLU A 55 6.921 12.376 -3.440 1.00 0.00 C ATOM 816 CG GLU A 55 6.217 11.832 -4.695 1.00 0.00 C ATOM 817 CD GLU A 55 6.810 10.478 -5.140 1.00 0.00 C ATOM 818 OE1 GLU A 55 6.440 9.482 -4.536 1.00 0.00 O ATOM 819 OE2 GLU A 55 7.606 10.517 -6.066 1.00 0.00 O ATOM 0 H GLU A 55 6.247 13.378 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 55 5.751 10.823 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.597 13.399 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.998 12.408 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.152 11.714 -4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.310 12.554 -5.506 1.00 0.00 H new ATOM 826 N LYS A 56 8.895 11.047 -1.528 1.00 0.00 N ATOM 827 CA LYS A 56 10.054 10.158 -1.208 1.00 0.00 C ATOM 828 C LYS A 56 9.655 9.127 -0.146 1.00 0.00 C ATOM 829 O LYS A 56 10.198 8.042 -0.112 1.00 0.00 O ATOM 830 CB LYS A 56 11.253 10.978 -0.669 1.00 0.00 C ATOM 831 CG LYS A 56 11.805 11.917 -1.770 1.00 0.00 C ATOM 832 CD LYS A 56 13.260 12.384 -1.460 1.00 0.00 C ATOM 833 CE LYS A 56 13.383 13.170 -0.131 1.00 0.00 C ATOM 834 NZ LYS A 56 13.245 12.261 1.043 1.00 0.00 N ATOM 0 H LYS A 56 9.072 12.046 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 56 10.346 9.655 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.941 11.565 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.039 10.304 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.786 11.401 -2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.156 12.788 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.913 11.512 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.615 13.010 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.347 13.676 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.615 13.943 -0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.926 12.538 1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.279 12.329 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.433 11.282 0.748 1.00 0.00 H new ATOM 848 N LYS A 57 8.702 9.488 0.683 1.00 0.00 N ATOM 849 CA LYS A 57 8.252 8.549 1.754 1.00 0.00 C ATOM 850 C LYS A 57 7.550 7.401 1.028 1.00 0.00 C ATOM 851 O LYS A 57 7.964 6.265 1.138 1.00 0.00 O ATOM 852 CB LYS A 57 7.285 9.300 2.709 1.00 0.00 C ATOM 853 CG LYS A 57 7.902 9.338 4.120 1.00 0.00 C ATOM 854 CD LYS A 57 6.963 10.110 5.072 1.00 0.00 C ATOM 855 CE LYS A 57 7.581 10.157 6.480 1.00 0.00 C ATOM 856 NZ LYS A 57 8.876 10.893 6.448 1.00 0.00 N ATOM 0 H LYS A 57 8.221 10.387 0.662 1.00 0.00 H new ATOM 0 HA LYS A 57 9.074 8.169 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.110 10.313 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.317 8.799 2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.057 8.324 4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.880 9.818 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.803 11.122 4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.987 9.626 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.894 10.645 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.739 9.144 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.133 11.185 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.618 10.273 6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.782 11.735 5.845 1.00 0.00 H new ATOM 870 N ALA A 58 6.502 7.735 0.312 1.00 0.00 N ATOM 871 CA ALA A 58 5.721 6.709 -0.462 1.00 0.00 C ATOM 872 C ALA A 58 6.690 5.732 -1.150 1.00 0.00 C ATOM 873 O ALA A 58 6.579 4.527 -1.025 1.00 0.00 O ATOM 874 CB ALA A 58 4.863 7.415 -1.519 1.00 0.00 C ATOM 0 H ALA A 58 6.148 8.688 0.228 1.00 0.00 H new ATOM 0 HA ALA A 58 5.076 6.154 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.296 6.674 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.174 8.103 -1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.508 7.971 -2.199 1.00 0.00 H new ATOM 880 N ALA A 59 7.618 6.324 -1.865 1.00 0.00 N ATOM 881 CA ALA A 59 8.665 5.557 -2.609 1.00 0.00 C ATOM 882 C ALA A 59 9.374 4.574 -1.662 1.00 0.00 C ATOM 883 O ALA A 59 9.355 3.381 -1.881 1.00 0.00 O ATOM 884 CB ALA A 59 9.682 6.552 -3.203 1.00 0.00 C ATOM 0 H ALA A 59 7.693 7.336 -1.965 1.00 0.00 H new ATOM 0 HA ALA A 59 8.201 4.984 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.451 6.004 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.170 7.233 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.145 7.123 -2.398 1.00 0.00 H new ATOM 890 N LYS A 60 9.980 5.111 -0.633 1.00 0.00 N ATOM 891 CA LYS A 60 10.711 4.292 0.375 1.00 0.00 C ATOM 892 C LYS A 60 9.869 3.097 0.808 1.00 0.00 C ATOM 893 O LYS A 60 10.375 2.000 0.878 1.00 0.00 O ATOM 894 CB LYS A 60 11.049 5.179 1.587 1.00 0.00 C ATOM 895 CG LYS A 60 12.037 4.413 2.507 1.00 0.00 C ATOM 896 CD LYS A 60 12.371 5.222 3.780 1.00 0.00 C ATOM 897 CE LYS A 60 13.044 6.568 3.434 1.00 0.00 C ATOM 898 NZ LYS A 60 13.405 7.281 4.692 1.00 0.00 N ATOM 0 H LYS A 60 9.997 6.114 -0.447 1.00 0.00 H new ATOM 0 HA LYS A 60 11.631 3.910 -0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.493 6.118 1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.141 5.431 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.604 3.453 2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.955 4.200 1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.458 5.405 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.031 4.638 4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.936 6.396 2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.369 7.181 2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.858 8.188 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.545 7.457 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.064 6.697 5.245 1.00 0.00 H new ATOM 912 N LEU A 61 8.611 3.320 1.094 1.00 0.00 N ATOM 913 CA LEU A 61 7.752 2.168 1.515 1.00 0.00 C ATOM 914 C LEU A 61 7.689 1.177 0.352 1.00 0.00 C ATOM 915 O LEU A 61 8.096 0.050 0.539 1.00 0.00 O ATOM 916 CB LEU A 61 6.368 2.713 1.888 1.00 0.00 C ATOM 917 CG LEU A 61 6.574 3.810 2.966 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.216 4.301 3.434 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.435 3.303 4.164 1.00 0.00 C ATOM 0 H LEU A 61 8.148 4.228 1.056 1.00 0.00 H new ATOM 0 HA LEU A 61 8.155 1.649 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.869 3.126 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.732 1.915 2.270 1.00 0.00 H new ATOM 0 HG LEU A 61 7.128 4.636 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.350 5.073 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.667 4.715 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.655 3.469 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.552 4.105 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.939 2.454 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.416 2.995 3.802 1.00 0.00 H new ATOM 931 N LYS A 62 7.191 1.589 -0.792 1.00 0.00 N ATOM 932 CA LYS A 62 7.109 0.679 -1.997 1.00 0.00 C ATOM 933 C LYS A 62 8.388 -0.202 -2.049 1.00 0.00 C ATOM 934 O LYS A 62 8.346 -1.408 -2.194 1.00 0.00 O ATOM 935 CB LYS A 62 6.994 1.571 -3.270 1.00 0.00 C ATOM 936 CG LYS A 62 6.793 0.710 -4.555 1.00 0.00 C ATOM 937 CD LYS A 62 8.014 0.854 -5.503 1.00 0.00 C ATOM 938 CE LYS A 62 7.711 0.162 -6.852 1.00 0.00 C ATOM 939 NZ LYS A 62 7.491 -1.299 -6.657 1.00 0.00 N ATOM 0 H LYS A 62 6.831 2.530 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 62 6.241 0.023 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.157 2.260 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.894 2.177 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.659 -0.337 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.885 1.023 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.237 1.908 -5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.897 0.408 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.827 0.610 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.540 0.321 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.441 -1.769 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.279 -1.698 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.599 -1.450 -6.143 1.00 0.00 H new