USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 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 Set 1.1: A 44 ASN : amide:sc= -1.29 X(o=-2.2,f=-2.5) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -130:sc= -0.952 (180deg=-4.04!) USER MOD Set 2.1: A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.449) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -3.94! USER MOD Single : A 17 SER OG : rot 86:sc= 0.452 USER MOD Single : A 19 TYR OH : rot 15:sc= 0.483 USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= -0.0959 (180deg=-0.566) USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.0497 (180deg=-0.418) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= -0.176 (180deg=-0.908) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.155 F(o=-0.76,f=-0.15) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.88 X(o=-1.9,f=-2.2!) USER MOD Single : A 54 TYR OH : rot -39:sc= 0.161 USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= -0.0246 (180deg=-0.377) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 -0.863 0.768 0.238 1.00 0.00 N ATOM 86 CA PRO A 8 -0.891 1.878 1.244 1.00 0.00 C ATOM 87 C PRO A 8 -0.682 3.247 0.537 1.00 0.00 C ATOM 88 O PRO A 8 -0.491 3.248 -0.664 1.00 0.00 O ATOM 89 CB PRO A 8 0.226 1.475 2.221 1.00 0.00 C ATOM 90 CG PRO A 8 1.260 0.803 1.297 1.00 0.00 C ATOM 91 CD PRO A 8 0.392 -0.037 0.345 1.00 0.00 C ATOM 0 HA PRO A 8 -1.836 2.010 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.645 2.340 2.736 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.135 0.791 2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.854 1.539 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.958 0.182 1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.870 -0.171 -0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.200 -1.032 0.746 1.00 0.00 H new ATOM 99 N PRO A 9 -0.727 4.354 1.264 1.00 0.00 N ATOM 100 CA PRO A 9 -0.424 5.733 0.773 1.00 0.00 C ATOM 101 C PRO A 9 0.387 5.937 -0.503 1.00 0.00 C ATOM 102 O PRO A 9 1.190 5.131 -0.933 1.00 0.00 O ATOM 103 CB PRO A 9 0.225 6.417 2.005 1.00 0.00 C ATOM 104 CG PRO A 9 0.028 5.413 3.190 1.00 0.00 C ATOM 105 CD PRO A 9 -1.066 4.447 2.708 1.00 0.00 C ATOM 0 HA PRO A 9 -1.357 6.168 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.282 6.617 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.250 7.375 2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.953 4.882 3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.274 5.930 4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.016 3.480 3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.069 4.840 2.874 1.00 0.00 H new ATOM 113 N SER A 10 0.109 7.091 -1.039 1.00 0.00 N ATOM 114 CA SER A 10 0.736 7.570 -2.287 1.00 0.00 C ATOM 115 C SER A 10 1.783 8.604 -1.876 1.00 0.00 C ATOM 116 O SER A 10 2.633 8.326 -1.054 1.00 0.00 O ATOM 117 CB SER A 10 -0.393 8.166 -3.166 1.00 0.00 C ATOM 118 OG SER A 10 -1.282 7.080 -3.380 1.00 0.00 O ATOM 0 H SER A 10 -0.561 7.747 -0.637 1.00 0.00 H new ATOM 0 HA SER A 10 1.231 6.790 -2.866 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.892 8.995 -2.664 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.002 8.552 -4.108 1.00 0.00 H new ATOM 0 HG SER A 10 -2.034 7.377 -3.933 1.00 0.00 H new ATOM 124 N ALA A 11 1.666 9.764 -2.456 1.00 0.00 N ATOM 125 CA ALA A 11 2.590 10.900 -2.200 1.00 0.00 C ATOM 126 C ALA A 11 1.757 12.050 -1.673 1.00 0.00 C ATOM 127 O ALA A 11 2.154 12.741 -0.756 1.00 0.00 O ATOM 128 CB ALA A 11 3.274 11.290 -3.502 1.00 0.00 C ATOM 0 H ALA A 11 0.931 9.979 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 11 3.359 10.632 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.953 12.123 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.837 10.439 -3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.522 11.587 -4.233 1.00 0.00 H new ATOM 134 N PHE A 12 0.604 12.224 -2.269 1.00 0.00 N ATOM 135 CA PHE A 12 -0.263 13.318 -1.809 1.00 0.00 C ATOM 136 C PHE A 12 -1.098 12.778 -0.663 1.00 0.00 C ATOM 137 O PHE A 12 -1.933 13.478 -0.147 1.00 0.00 O ATOM 138 CB PHE A 12 -1.105 13.781 -3.003 1.00 0.00 C ATOM 139 CG PHE A 12 -2.479 13.175 -3.263 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.547 13.524 -2.468 1.00 0.00 C ATOM 141 CD2 PHE A 12 -2.676 12.308 -4.312 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.798 13.023 -2.705 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.929 11.803 -4.559 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.999 12.155 -3.758 1.00 0.00 C ATOM 0 H PHE A 12 0.242 11.661 -3.039 1.00 0.00 H new ATOM 0 HA PHE A 12 0.290 14.184 -1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.242 14.858 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.507 13.619 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.395 14.205 -1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.846 12.024 -4.941 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.625 13.306 -2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.080 11.125 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.983 11.754 -3.955 1.00 0.00 H new ATOM 154 N PHE A 13 -0.856 11.552 -0.263 1.00 0.00 N ATOM 155 CA PHE A 13 -1.651 10.991 0.861 1.00 0.00 C ATOM 156 C PHE A 13 -1.210 11.769 2.111 1.00 0.00 C ATOM 157 O PHE A 13 -2.025 12.204 2.897 1.00 0.00 O ATOM 158 CB PHE A 13 -1.337 9.515 1.032 1.00 0.00 C ATOM 159 CG PHE A 13 -2.386 8.913 1.979 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.625 8.558 1.481 1.00 0.00 C ATOM 161 CD2 PHE A 13 -2.120 8.729 3.321 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.588 8.026 2.310 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.083 8.197 4.154 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.317 7.844 3.649 1.00 0.00 C ATOM 0 H PHE A 13 -0.154 10.929 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.723 11.083 0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.358 9.007 0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.335 9.383 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.840 8.699 0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.155 9.002 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.554 7.752 1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.870 8.057 5.203 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.069 7.426 4.301 1.00 0.00 H new ATOM 174 N LEU A 14 0.086 11.923 2.236 1.00 0.00 N ATOM 175 CA LEU A 14 0.670 12.656 3.395 1.00 0.00 C ATOM 176 C LEU A 14 0.017 14.057 3.402 1.00 0.00 C ATOM 177 O LEU A 14 -0.618 14.479 4.350 1.00 0.00 O ATOM 178 CB LEU A 14 2.223 12.746 3.205 1.00 0.00 C ATOM 179 CG LEU A 14 3.009 11.371 3.021 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.546 10.219 3.951 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.089 10.873 1.552 1.00 0.00 C ATOM 0 H LEU A 14 0.772 11.565 1.571 1.00 0.00 H new ATOM 0 HA LEU A 14 0.482 12.155 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.422 13.370 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.641 13.262 4.069 1.00 0.00 H new ATOM 0 HG LEU A 14 4.016 11.644 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.140 9.328 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.678 10.516 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.494 10.003 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.640 9.933 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.082 10.719 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.602 11.617 0.943 1.00 0.00 H new ATOM 193 N PHE A 15 0.211 14.730 2.301 1.00 0.00 N ATOM 194 CA PHE A 15 -0.336 16.108 2.072 1.00 0.00 C ATOM 195 C PHE A 15 -1.843 16.154 2.434 1.00 0.00 C ATOM 196 O PHE A 15 -2.292 16.953 3.230 1.00 0.00 O ATOM 197 CB PHE A 15 0.010 16.376 0.595 1.00 0.00 C ATOM 198 CG PHE A 15 -0.870 17.343 -0.202 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.996 16.863 -0.846 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.532 18.677 -0.319 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.774 17.706 -1.605 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.311 19.521 -1.079 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.429 19.034 -1.722 1.00 0.00 C ATOM 0 H PHE A 15 0.750 14.368 1.514 1.00 0.00 H new ATOM 0 HA PHE A 15 0.084 16.893 2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.032 16.752 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.004 15.418 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.266 15.821 -0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.343 19.058 0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.652 17.328 -2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.046 20.564 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.037 19.697 -2.320 1.00 0.00 H new ATOM 213 N CYS A 16 -2.579 15.272 1.818 1.00 0.00 N ATOM 214 CA CYS A 16 -4.052 15.139 2.030 1.00 0.00 C ATOM 215 C CYS A 16 -4.375 15.181 3.512 1.00 0.00 C ATOM 216 O CYS A 16 -5.144 16.005 3.964 1.00 0.00 O ATOM 217 CB CYS A 16 -4.542 13.794 1.446 1.00 0.00 C ATOM 218 SG CYS A 16 -6.236 13.287 1.847 1.00 0.00 S ATOM 0 H CYS A 16 -2.202 14.606 1.144 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.553 15.967 1.528 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.452 13.844 0.361 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.865 13.011 1.787 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.492 12.144 1.282 1.00 0.00 H new ATOM 223 N SER A 17 -3.753 14.265 4.210 1.00 0.00 N ATOM 224 CA SER A 17 -3.958 14.163 5.672 1.00 0.00 C ATOM 225 C SER A 17 -3.738 15.507 6.356 1.00 0.00 C ATOM 226 O SER A 17 -4.613 15.998 7.042 1.00 0.00 O ATOM 227 CB SER A 17 -2.985 13.140 6.243 1.00 0.00 C ATOM 228 OG SER A 17 -3.310 11.928 5.576 1.00 0.00 O ATOM 0 H SER A 17 -3.107 13.580 3.818 1.00 0.00 H new ATOM 0 HA SER A 17 -4.986 13.852 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.951 13.430 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.100 13.042 7.322 1.00 0.00 H new ATOM 0 HG SER A 17 -2.832 11.887 4.721 1.00 0.00 H new ATOM 234 N GLU A 18 -2.561 16.033 6.118 1.00 0.00 N ATOM 235 CA GLU A 18 -2.110 17.340 6.675 1.00 0.00 C ATOM 236 C GLU A 18 -3.261 18.333 6.811 1.00 0.00 C ATOM 237 O GLU A 18 -3.399 18.952 7.849 1.00 0.00 O ATOM 238 CB GLU A 18 -1.008 17.895 5.756 1.00 0.00 C ATOM 239 CG GLU A 18 -0.317 19.108 6.412 1.00 0.00 C ATOM 240 CD GLU A 18 0.901 19.527 5.565 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.696 19.846 4.403 1.00 0.00 O ATOM 242 OE2 GLU A 18 1.978 19.501 6.138 1.00 0.00 O ATOM 0 H GLU A 18 -1.862 15.581 5.528 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.721 17.186 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.272 17.117 5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.438 18.188 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.018 19.938 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.000 18.856 7.424 1.00 0.00 H new ATOM 249 N TYR A 19 -4.052 18.460 5.764 1.00 0.00 N ATOM 250 CA TYR A 19 -5.191 19.426 5.856 1.00 0.00 C ATOM 251 C TYR A 19 -6.527 18.862 5.364 1.00 0.00 C ATOM 252 O TYR A 19 -7.323 19.537 4.739 1.00 0.00 O ATOM 253 CB TYR A 19 -4.788 20.689 5.072 1.00 0.00 C ATOM 254 CG TYR A 19 -4.712 20.517 3.554 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.781 19.702 2.935 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.608 21.225 2.782 1.00 0.00 C ATOM 257 CE1 TYR A 19 -3.758 19.613 1.555 1.00 0.00 C ATOM 258 CE2 TYR A 19 -5.586 21.137 1.414 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.662 20.335 0.791 1.00 0.00 C ATOM 260 OH TYR A 19 -4.652 20.286 -0.585 1.00 0.00 O ATOM 0 H TYR A 19 -3.961 17.955 4.882 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.368 19.654 6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.503 21.480 5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.816 21.026 5.432 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.075 19.138 3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.339 21.859 3.262 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.032 18.978 1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.296 21.699 0.826 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.115 19.522 -0.881 1.00 0.00 H new ATOM 270 N ARG A 20 -6.741 17.615 5.689 1.00 0.00 N ATOM 271 CA ARG A 20 -8.001 16.943 5.282 1.00 0.00 C ATOM 272 C ARG A 20 -9.148 17.612 6.064 1.00 0.00 C ATOM 273 O ARG A 20 -10.104 18.004 5.433 1.00 0.00 O ATOM 274 CB ARG A 20 -7.848 15.405 5.585 1.00 0.00 C ATOM 275 CG ARG A 20 -9.194 14.619 5.572 1.00 0.00 C ATOM 276 CD ARG A 20 -9.946 14.718 6.926 1.00 0.00 C ATOM 277 NE ARG A 20 -9.034 14.250 8.016 1.00 0.00 N ATOM 278 CZ ARG A 20 -9.375 13.245 8.774 1.00 0.00 C ATOM 279 NH1 ARG A 20 -9.252 12.032 8.308 1.00 0.00 N ATOM 280 NH2 ARG A 20 -9.828 13.485 9.973 1.00 0.00 N ATOM 0 H ARG A 20 -6.093 17.034 6.221 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.221 17.041 4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.175 14.965 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.377 15.282 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.831 15.006 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.998 13.571 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.259 15.746 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.850 14.109 6.902 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.141 14.719 8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.894 11.882 7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.514 11.234 8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.911 14.446 10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.100 12.711 10.580 1.00 0.00 H new ATOM 294 N PRO A 21 -9.063 17.763 7.374 1.00 0.00 N ATOM 295 CA PRO A 21 -10.195 18.289 8.199 1.00 0.00 C ATOM 296 C PRO A 21 -10.669 19.652 7.668 1.00 0.00 C ATOM 297 O PRO A 21 -11.843 19.960 7.646 1.00 0.00 O ATOM 298 CB PRO A 21 -9.625 18.348 9.623 1.00 0.00 C ATOM 299 CG PRO A 21 -8.551 17.235 9.598 1.00 0.00 C ATOM 300 CD PRO A 21 -7.885 17.459 8.238 1.00 0.00 C ATOM 0 HA PRO A 21 -11.088 17.665 8.165 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.194 19.324 9.848 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.390 18.157 10.375 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.842 17.335 10.420 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.992 16.241 9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.171 18.282 8.262 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.343 16.577 7.897 1.00 0.00 H new ATOM 308 N LYS A 22 -9.692 20.413 7.257 1.00 0.00 N ATOM 309 CA LYS A 22 -9.896 21.784 6.701 1.00 0.00 C ATOM 310 C LYS A 22 -10.798 21.831 5.452 1.00 0.00 C ATOM 311 O LYS A 22 -11.690 22.658 5.367 1.00 0.00 O ATOM 312 CB LYS A 22 -8.503 22.364 6.362 1.00 0.00 C ATOM 313 CG LYS A 22 -8.406 23.884 6.635 1.00 0.00 C ATOM 314 CD LYS A 22 -8.464 24.125 8.168 1.00 0.00 C ATOM 315 CE LYS A 22 -8.005 25.551 8.519 1.00 0.00 C ATOM 316 NZ LYS A 22 -6.572 25.737 8.156 1.00 0.00 N ATOM 0 H LYS A 22 -8.714 20.126 7.286 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.416 22.373 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.745 21.845 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.280 22.173 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.477 24.282 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.223 24.409 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.481 23.968 8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.831 23.399 8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.619 26.279 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.144 25.733 9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.168 26.511 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.049 24.859 8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.497 25.971 7.145 1.00 0.00 H new ATOM 330 N ILE A 23 -10.577 20.935 4.517 1.00 0.00 N ATOM 331 CA ILE A 23 -11.418 20.960 3.280 1.00 0.00 C ATOM 332 C ILE A 23 -12.684 20.185 3.541 1.00 0.00 C ATOM 333 O ILE A 23 -13.736 20.497 3.033 1.00 0.00 O ATOM 334 CB ILE A 23 -10.630 20.340 2.077 1.00 0.00 C ATOM 335 CG1 ILE A 23 -10.033 18.940 2.404 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.502 21.328 1.684 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.604 18.248 1.093 1.00 0.00 C ATOM 0 H ILE A 23 -9.867 20.204 4.555 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.668 21.989 3.023 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.324 20.187 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.177 19.044 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.771 18.330 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.936 20.920 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.940 22.284 1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.836 21.476 2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.186 17.267 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.471 18.131 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.852 18.856 0.590 1.00 0.00 H new ATOM 349 N LYS A 24 -12.518 19.183 4.347 1.00 0.00 N ATOM 350 CA LYS A 24 -13.610 18.277 4.766 1.00 0.00 C ATOM 351 C LYS A 24 -14.670 19.132 5.493 1.00 0.00 C ATOM 352 O LYS A 24 -15.855 18.864 5.438 1.00 0.00 O ATOM 353 CB LYS A 24 -12.946 17.273 5.660 1.00 0.00 C ATOM 354 CG LYS A 24 -13.950 16.200 6.147 1.00 0.00 C ATOM 355 CD LYS A 24 -13.597 15.767 7.588 1.00 0.00 C ATOM 356 CE LYS A 24 -13.875 16.919 8.590 1.00 0.00 C ATOM 357 NZ LYS A 24 -15.327 17.267 8.594 1.00 0.00 N ATOM 0 H LYS A 24 -11.614 18.944 4.755 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.122 17.762 3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.128 16.792 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.509 17.781 6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.965 16.597 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.925 15.337 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.182 14.890 7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.547 15.479 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.563 16.622 9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.285 17.795 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.560 17.773 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.541 17.874 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.893 16.396 8.536 1.00 0.00 H new ATOM 371 N GLY A 25 -14.163 20.145 6.156 1.00 0.00 N ATOM 372 CA GLY A 25 -15.003 21.098 6.933 1.00 0.00 C ATOM 373 C GLY A 25 -15.824 21.943 5.965 1.00 0.00 C ATOM 374 O GLY A 25 -17.014 22.116 6.145 1.00 0.00 O ATOM 0 H GLY A 25 -13.165 20.353 6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.662 20.553 7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.373 21.738 7.550 1.00 0.00 H new ATOM 378 N GLU A 26 -15.139 22.445 4.972 1.00 0.00 N ATOM 379 CA GLU A 26 -15.787 23.293 3.924 1.00 0.00 C ATOM 380 C GLU A 26 -16.824 22.486 3.125 1.00 0.00 C ATOM 381 O GLU A 26 -17.929 22.931 2.883 1.00 0.00 O ATOM 382 CB GLU A 26 -14.692 23.814 2.979 1.00 0.00 C ATOM 383 CG GLU A 26 -13.654 24.664 3.743 1.00 0.00 C ATOM 384 CD GLU A 26 -14.210 26.068 4.051 1.00 0.00 C ATOM 385 OE1 GLU A 26 -15.063 26.153 4.919 1.00 0.00 O ATOM 386 OE2 GLU A 26 -13.746 26.983 3.390 1.00 0.00 O ATOM 0 H GLU A 26 -14.138 22.301 4.839 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.307 24.123 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.193 22.973 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.145 24.412 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.383 24.164 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.743 24.751 3.151 1.00 0.00 H new ATOM 393 N HIS A 27 -16.394 21.312 2.746 1.00 0.00 N ATOM 394 CA HIS A 27 -17.190 20.338 1.958 1.00 0.00 C ATOM 395 C HIS A 27 -17.375 19.036 2.766 1.00 0.00 C ATOM 396 O HIS A 27 -16.681 18.067 2.543 1.00 0.00 O ATOM 397 CB HIS A 27 -16.429 20.061 0.641 1.00 0.00 C ATOM 398 CG HIS A 27 -16.016 21.390 0.006 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.828 22.252 -0.508 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.761 21.956 -0.154 1.00 0.00 C ATOM 401 CE1 HIS A 27 -16.155 23.266 -0.953 1.00 0.00 C ATOM 402 NE2 HIS A 27 -14.869 23.126 -0.753 1.00 0.00 N ATOM 0 H HIS A 27 -15.458 20.974 2.970 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.180 20.737 1.737 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.548 19.450 0.838 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.061 19.498 -0.046 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.832 21.506 0.165 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -16.602 24.125 -1.432 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -14.122 23.773 -1.003 1.00 0.00 H new ATOM 410 N PRO A 28 -18.304 19.036 3.692 1.00 0.00 N ATOM 411 CA PRO A 28 -18.794 17.792 4.347 1.00 0.00 C ATOM 412 C PRO A 28 -19.844 17.127 3.431 1.00 0.00 C ATOM 413 O PRO A 28 -20.879 16.677 3.884 1.00 0.00 O ATOM 414 CB PRO A 28 -19.333 18.310 5.674 1.00 0.00 C ATOM 415 CG PRO A 28 -19.981 19.662 5.248 1.00 0.00 C ATOM 416 CD PRO A 28 -18.975 20.248 4.223 1.00 0.00 C ATOM 0 HA PRO A 28 -18.054 17.010 4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.061 17.628 6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.542 18.450 6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.964 19.511 4.802 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -20.116 20.327 6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.480 20.809 3.436 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -18.267 20.929 4.695 1.00 0.00 H new ATOM 424 N GLY A 29 -19.516 17.101 2.164 1.00 0.00 N ATOM 425 CA GLY A 29 -20.398 16.504 1.125 1.00 0.00 C ATOM 426 C GLY A 29 -19.640 15.614 0.133 1.00 0.00 C ATOM 427 O GLY A 29 -20.249 15.105 -0.787 1.00 0.00 O ATOM 0 H GLY A 29 -18.643 17.483 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.176 15.915 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.898 17.303 0.578 1.00 0.00 H new ATOM 431 N LEU A 30 -18.351 15.441 0.328 1.00 0.00 N ATOM 432 CA LEU A 30 -17.539 14.594 -0.589 1.00 0.00 C ATOM 433 C LEU A 30 -17.241 13.200 -0.025 1.00 0.00 C ATOM 434 O LEU A 30 -17.439 12.930 1.145 1.00 0.00 O ATOM 435 CB LEU A 30 -16.207 15.346 -0.904 1.00 0.00 C ATOM 436 CG LEU A 30 -15.692 16.277 0.214 1.00 0.00 C ATOM 437 CD1 LEU A 30 -15.545 15.568 1.593 1.00 0.00 C ATOM 438 CD2 LEU A 30 -14.374 16.947 -0.239 1.00 0.00 C ATOM 0 H LEU A 30 -17.826 15.859 1.096 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.121 14.431 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.436 14.608 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.348 15.937 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.447 17.047 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.179 16.281 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.514 15.183 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.839 14.743 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.010 17.605 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.628 16.180 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.554 17.530 -1.142 1.00 0.00 H new ATOM 450 N SER A 31 -16.766 12.368 -0.915 1.00 0.00 N ATOM 451 CA SER A 31 -16.403 10.957 -0.606 1.00 0.00 C ATOM 452 C SER A 31 -14.920 10.726 -0.876 1.00 0.00 C ATOM 453 O SER A 31 -14.204 11.639 -1.222 1.00 0.00 O ATOM 454 CB SER A 31 -17.256 10.030 -1.483 1.00 0.00 C ATOM 455 OG SER A 31 -18.590 10.331 -1.103 1.00 0.00 O ATOM 0 H SER A 31 -16.609 12.626 -1.889 1.00 0.00 H new ATOM 0 HA SER A 31 -16.593 10.746 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.090 10.220 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.017 8.981 -1.306 1.00 0.00 H new ATOM 0 HG SER A 31 -19.211 9.778 -1.622 1.00 0.00 H new ATOM 461 N ILE A 32 -14.499 9.500 -0.720 1.00 0.00 N ATOM 462 CA ILE A 32 -13.070 9.113 -0.948 1.00 0.00 C ATOM 463 C ILE A 32 -12.638 9.215 -2.420 1.00 0.00 C ATOM 464 O ILE A 32 -11.534 8.875 -2.793 1.00 0.00 O ATOM 465 CB ILE A 32 -12.930 7.685 -0.415 1.00 0.00 C ATOM 466 CG1 ILE A 32 -11.472 7.154 -0.477 1.00 0.00 C ATOM 467 CG2 ILE A 32 -13.842 6.715 -1.216 1.00 0.00 C ATOM 468 CD1 ILE A 32 -10.493 8.096 0.254 1.00 0.00 C ATOM 0 H ILE A 32 -15.101 8.727 -0.436 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.408 9.805 -0.428 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.232 7.724 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.426 6.162 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.167 7.048 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.730 5.704 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.881 7.029 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -13.555 6.731 -2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.483 7.692 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.520 9.081 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.784 8.181 1.301 1.00 0.00 H new ATOM 480 N GLY A 33 -13.558 9.692 -3.196 1.00 0.00 N ATOM 481 CA GLY A 33 -13.349 9.882 -4.665 1.00 0.00 C ATOM 482 C GLY A 33 -13.375 11.374 -5.008 1.00 0.00 C ATOM 483 O GLY A 33 -12.967 11.782 -6.078 1.00 0.00 O ATOM 0 H GLY A 33 -14.483 9.971 -2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.395 9.448 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.126 9.359 -5.222 1.00 0.00 H new ATOM 487 N ASP A 34 -13.840 12.150 -4.068 1.00 0.00 N ATOM 488 CA ASP A 34 -13.942 13.622 -4.250 1.00 0.00 C ATOM 489 C ASP A 34 -12.780 14.236 -3.509 1.00 0.00 C ATOM 490 O ASP A 34 -12.069 15.063 -4.037 1.00 0.00 O ATOM 491 CB ASP A 34 -15.293 14.050 -3.684 1.00 0.00 C ATOM 492 CG ASP A 34 -16.433 13.409 -4.495 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.538 13.743 -5.664 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.140 12.613 -3.897 1.00 0.00 O ATOM 0 H ASP A 34 -14.161 11.815 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.893 13.942 -5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.369 13.753 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.381 15.136 -3.714 1.00 0.00 H new ATOM 499 N VAL A 35 -12.618 13.803 -2.295 1.00 0.00 N ATOM 500 CA VAL A 35 -11.510 14.288 -1.422 1.00 0.00 C ATOM 501 C VAL A 35 -10.217 13.925 -2.174 1.00 0.00 C ATOM 502 O VAL A 35 -9.251 14.662 -2.205 1.00 0.00 O ATOM 503 CB VAL A 35 -11.607 13.534 -0.078 1.00 0.00 C ATOM 504 CG1 VAL A 35 -10.446 13.930 0.845 1.00 0.00 C ATOM 505 CG2 VAL A 35 -12.906 13.883 0.649 1.00 0.00 C ATOM 0 H VAL A 35 -13.225 13.111 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.545 15.358 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.574 12.468 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.530 13.389 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.499 13.680 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.483 15.002 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.952 13.340 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.937 14.955 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.757 13.603 0.028 1.00 0.00 H new ATOM 515 N ALA A 36 -10.306 12.766 -2.775 1.00 0.00 N ATOM 516 CA ALA A 36 -9.200 12.171 -3.560 1.00 0.00 C ATOM 517 C ALA A 36 -8.931 12.914 -4.847 1.00 0.00 C ATOM 518 O ALA A 36 -7.780 13.137 -5.158 1.00 0.00 O ATOM 519 CB ALA A 36 -9.561 10.729 -3.851 1.00 0.00 C ATOM 0 H ALA A 36 -11.145 12.187 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.282 12.237 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.763 10.264 -4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.691 10.190 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.490 10.694 -4.421 1.00 0.00 H new ATOM 525 N LYS A 37 -9.956 13.275 -5.577 1.00 0.00 N ATOM 526 CA LYS A 37 -9.665 14.015 -6.838 1.00 0.00 C ATOM 527 C LYS A 37 -9.303 15.472 -6.534 1.00 0.00 C ATOM 528 O LYS A 37 -8.474 16.034 -7.219 1.00 0.00 O ATOM 529 CB LYS A 37 -10.891 13.939 -7.758 1.00 0.00 C ATOM 530 CG LYS A 37 -10.969 12.479 -8.265 1.00 0.00 C ATOM 531 CD LYS A 37 -12.124 12.298 -9.274 1.00 0.00 C ATOM 532 CE LYS A 37 -11.769 12.971 -10.619 1.00 0.00 C ATOM 533 NZ LYS A 37 -10.530 12.358 -11.182 1.00 0.00 N ATOM 0 H LYS A 37 -10.939 13.099 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.811 13.558 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.798 14.212 -7.219 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.794 14.635 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.025 12.204 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.112 11.805 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.317 11.237 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.039 12.733 -8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.594 12.856 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.622 14.041 -10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.521 12.479 -12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.695 12.823 -10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.509 11.344 -10.952 1.00 0.00 H new ATOM 547 N LYS A 38 -9.900 16.062 -5.525 1.00 0.00 N ATOM 548 CA LYS A 38 -9.586 17.474 -5.187 1.00 0.00 C ATOM 549 C LYS A 38 -8.126 17.515 -4.807 1.00 0.00 C ATOM 550 O LYS A 38 -7.371 18.245 -5.404 1.00 0.00 O ATOM 551 CB LYS A 38 -10.454 17.950 -3.999 1.00 0.00 C ATOM 552 CG LYS A 38 -11.849 18.330 -4.518 1.00 0.00 C ATOM 553 CD LYS A 38 -12.715 18.830 -3.338 1.00 0.00 C ATOM 554 CE LYS A 38 -14.045 19.395 -3.875 1.00 0.00 C ATOM 555 NZ LYS A 38 -14.886 19.895 -2.750 1.00 0.00 N ATOM 0 H LYS A 38 -10.593 15.618 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.794 18.130 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.533 17.161 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.988 18.806 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.767 19.106 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.321 17.469 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.910 18.012 -2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.180 19.599 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.847 20.204 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.582 18.621 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.854 19.528 -2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.485 19.572 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.906 20.935 -2.767 1.00 0.00 H new ATOM 569 N LEU A 39 -7.750 16.724 -3.839 1.00 0.00 N ATOM 570 CA LEU A 39 -6.322 16.715 -3.413 1.00 0.00 C ATOM 571 C LEU A 39 -5.497 16.159 -4.535 1.00 0.00 C ATOM 572 O LEU A 39 -4.473 16.706 -4.860 1.00 0.00 O ATOM 573 CB LEU A 39 -6.199 15.854 -2.193 1.00 0.00 C ATOM 574 CG LEU A 39 -6.911 16.560 -1.071 1.00 0.00 C ATOM 575 CD1 LEU A 39 -7.124 15.569 0.062 1.00 0.00 C ATOM 576 CD2 LEU A 39 -6.061 17.730 -0.534 1.00 0.00 C ATOM 0 H LEU A 39 -8.364 16.089 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.973 17.720 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.639 14.873 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.151 15.692 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.859 16.949 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.639 16.063 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.727 14.733 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.159 15.199 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.595 18.226 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.110 17.348 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.876 18.444 -1.337 1.00 0.00 H new ATOM 588 N GLY A 40 -5.979 15.084 -5.084 1.00 0.00 N ATOM 589 CA GLY A 40 -5.280 14.408 -6.226 1.00 0.00 C ATOM 590 C GLY A 40 -4.820 15.436 -7.261 1.00 0.00 C ATOM 591 O GLY A 40 -3.831 15.237 -7.936 1.00 0.00 O ATOM 0 H GLY A 40 -6.844 14.631 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.421 13.849 -5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.950 13.687 -6.694 1.00 0.00 H new ATOM 595 N GLU A 41 -5.569 16.509 -7.330 1.00 0.00 N ATOM 596 CA GLU A 41 -5.269 17.614 -8.282 1.00 0.00 C ATOM 597 C GLU A 41 -4.421 18.680 -7.585 1.00 0.00 C ATOM 598 O GLU A 41 -3.328 18.966 -8.032 1.00 0.00 O ATOM 599 CB GLU A 41 -6.584 18.215 -8.746 1.00 0.00 C ATOM 600 CG GLU A 41 -7.330 17.229 -9.674 1.00 0.00 C ATOM 601 CD GLU A 41 -8.758 17.748 -9.948 1.00 0.00 C ATOM 602 OE1 GLU A 41 -8.849 18.816 -10.536 1.00 0.00 O ATOM 603 OE2 GLU A 41 -9.680 17.051 -9.552 1.00 0.00 O ATOM 0 H GLU A 41 -6.394 16.665 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.712 17.234 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.206 18.454 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.398 19.150 -9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.787 17.117 -10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.374 16.243 -9.212 1.00 0.00 H new ATOM 610 N MET A 42 -4.941 19.236 -6.516 1.00 0.00 N ATOM 611 CA MET A 42 -4.223 20.293 -5.728 1.00 0.00 C ATOM 612 C MET A 42 -2.746 19.934 -5.552 1.00 0.00 C ATOM 613 O MET A 42 -1.864 20.755 -5.692 1.00 0.00 O ATOM 614 CB MET A 42 -4.847 20.410 -4.371 1.00 0.00 C ATOM 615 CG MET A 42 -6.282 20.973 -4.440 1.00 0.00 C ATOM 616 SD MET A 42 -6.526 22.686 -4.974 1.00 0.00 S ATOM 617 CE MET A 42 -7.788 22.402 -6.244 1.00 0.00 C ATOM 0 H MET A 42 -5.860 18.994 -6.146 1.00 0.00 H new ATOM 0 HA MET A 42 -4.300 21.235 -6.271 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.865 19.430 -3.895 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.233 21.058 -3.745 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.855 20.334 -5.112 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.724 20.871 -3.449 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.071 23.353 -6.695 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.388 21.741 -7.013 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.665 21.941 -5.789 1.00 0.00 H new ATOM 627 N TRP A 43 -2.570 18.680 -5.229 1.00 0.00 N ATOM 628 CA TRP A 43 -1.254 18.048 -5.002 1.00 0.00 C ATOM 629 C TRP A 43 -0.353 18.290 -6.185 1.00 0.00 C ATOM 630 O TRP A 43 0.763 18.746 -6.039 1.00 0.00 O ATOM 631 CB TRP A 43 -1.520 16.581 -4.796 1.00 0.00 C ATOM 632 CG TRP A 43 -0.222 15.807 -4.932 1.00 0.00 C ATOM 633 CD1 TRP A 43 0.041 14.979 -5.965 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.816 15.827 -4.079 1.00 0.00 C ATOM 635 NE1 TRP A 43 1.247 14.542 -5.671 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.806 14.983 -4.558 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.990 16.514 -2.885 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.985 14.819 -3.837 1.00 0.00 C ATOM 639 CZ3 TRP A 43 2.162 16.349 -2.161 1.00 0.00 C ATOM 640 CH2 TRP A 43 3.159 15.501 -2.640 1.00 0.00 C ATOM 0 H TRP A 43 -3.349 18.033 -5.108 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.746 18.466 -4.133 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.954 16.414 -3.810 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.246 16.226 -5.528 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.579 14.737 -6.815 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.733 13.885 -6.281 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.216 17.174 -2.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.761 14.165 -4.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.301 16.876 -1.229 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.072 15.374 -2.077 1.00 0.00 H new ATOM 651 N ASN A 44 -0.907 17.978 -7.329 1.00 0.00 N ATOM 652 CA ASN A 44 -0.118 18.161 -8.581 1.00 0.00 C ATOM 653 C ASN A 44 0.293 19.626 -8.757 1.00 0.00 C ATOM 654 O ASN A 44 1.145 19.941 -9.565 1.00 0.00 O ATOM 655 CB ASN A 44 -0.952 17.676 -9.798 1.00 0.00 C ATOM 656 CG ASN A 44 -1.121 16.151 -9.697 1.00 0.00 C ATOM 657 OD1 ASN A 44 -0.198 15.432 -9.367 1.00 0.00 O ATOM 658 ND2 ASN A 44 -2.273 15.610 -9.976 1.00 0.00 N ATOM 0 H ASN A 44 -1.852 17.612 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 44 0.793 17.566 -8.514 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.926 18.165 -9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.452 17.941 -10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.389 14.598 -9.916 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.058 16.198 -10.255 1.00 0.00 H new ATOM 665 N ASN A 45 -0.342 20.465 -7.976 1.00 0.00 N ATOM 666 CA ASN A 45 -0.079 21.933 -7.996 1.00 0.00 C ATOM 667 C ASN A 45 0.247 22.405 -6.555 1.00 0.00 C ATOM 668 O ASN A 45 -0.217 23.450 -6.140 1.00 0.00 O ATOM 669 CB ASN A 45 -1.342 22.642 -8.525 1.00 0.00 C ATOM 670 CG ASN A 45 -1.931 21.837 -9.681 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.058 21.218 -9.460 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.385 21.759 -10.763 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.055 20.180 -7.304 1.00 0.00 H new ATOM 0 HA ASN A 45 0.767 22.170 -8.642 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.077 22.743 -7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.094 23.650 -8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.504 22.247 -10.926 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.807 21.206 -11.509 1.00 0.00 H new ATOM 679 N THR A 46 1.032 21.645 -5.825 1.00 0.00 N ATOM 680 CA THR A 46 1.374 22.057 -4.422 1.00 0.00 C ATOM 681 C THR A 46 2.650 22.905 -4.439 1.00 0.00 C ATOM 682 O THR A 46 2.681 23.949 -3.818 1.00 0.00 O ATOM 683 CB THR A 46 1.571 20.771 -3.527 1.00 0.00 C ATOM 684 OG1 THR A 46 1.716 21.289 -2.210 1.00 0.00 O ATOM 685 CG2 THR A 46 2.905 20.007 -3.722 1.00 0.00 C ATOM 0 H THR A 46 1.447 20.766 -6.135 1.00 0.00 H new ATOM 0 HA THR A 46 0.563 22.652 -4.001 1.00 0.00 H new ATOM 0 HB THR A 46 0.746 20.096 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.843 20.549 -1.580 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.930 19.144 -3.057 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.984 19.671 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.740 20.668 -3.490 1.00 0.00 H new ATOM 693 N ALA A 47 3.643 22.426 -5.149 1.00 0.00 N ATOM 694 CA ALA A 47 4.957 23.134 -5.269 1.00 0.00 C ATOM 695 C ALA A 47 6.000 22.274 -5.982 1.00 0.00 C ATOM 696 O ALA A 47 6.868 22.810 -6.643 1.00 0.00 O ATOM 697 CB ALA A 47 5.536 23.485 -3.878 1.00 0.00 C ATOM 0 H ALA A 47 3.595 21.548 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 47 4.756 24.039 -5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.490 23.998 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.840 24.135 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.687 22.570 -3.305 1.00 0.00 H new ATOM 703 N ALA A 48 5.883 20.974 -5.826 1.00 0.00 N ATOM 704 CA ALA A 48 6.847 19.997 -6.454 1.00 0.00 C ATOM 705 C ALA A 48 8.268 20.304 -5.931 1.00 0.00 C ATOM 706 O ALA A 48 9.278 19.912 -6.479 1.00 0.00 O ATOM 707 CB ALA A 48 6.817 20.133 -7.977 1.00 0.00 C ATOM 0 H ALA A 48 5.143 20.535 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 48 6.562 18.978 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.516 19.423 -8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.811 19.926 -8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.103 21.147 -8.257 1.00 0.00 H new ATOM 713 N ASP A 49 8.211 21.028 -4.849 1.00 0.00 N ATOM 714 CA ASP A 49 9.333 21.537 -4.028 1.00 0.00 C ATOM 715 C ASP A 49 8.929 21.203 -2.571 1.00 0.00 C ATOM 716 O ASP A 49 9.755 21.110 -1.684 1.00 0.00 O ATOM 717 CB ASP A 49 9.457 23.055 -4.246 1.00 0.00 C ATOM 718 CG ASP A 49 10.498 23.654 -3.284 1.00 0.00 C ATOM 719 OD1 ASP A 49 11.653 23.291 -3.432 1.00 0.00 O ATOM 720 OD2 ASP A 49 10.074 24.439 -2.450 1.00 0.00 O ATOM 0 H ASP A 49 7.311 21.316 -4.465 1.00 0.00 H new ATOM 0 HA ASP A 49 10.298 21.098 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.747 23.258 -5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.490 23.531 -4.087 1.00 0.00 H new ATOM 725 N ASP A 50 7.634 21.040 -2.409 1.00 0.00 N ATOM 726 CA ASP A 50 6.976 20.712 -1.108 1.00 0.00 C ATOM 727 C ASP A 50 6.413 19.283 -1.281 1.00 0.00 C ATOM 728 O ASP A 50 5.709 18.775 -0.431 1.00 0.00 O ATOM 729 CB ASP A 50 5.840 21.731 -0.864 1.00 0.00 C ATOM 730 CG ASP A 50 5.399 21.761 0.614 1.00 0.00 C ATOM 731 OD1 ASP A 50 4.768 20.811 1.045 1.00 0.00 O ATOM 732 OD2 ASP A 50 5.725 22.752 1.245 1.00 0.00 O ATOM 0 H ASP A 50 6.971 21.128 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 50 7.656 20.759 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.174 22.725 -1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.986 21.479 -1.492 1.00 0.00 H new ATOM 737 N LYS A 51 6.758 18.668 -2.388 1.00 0.00 N ATOM 738 CA LYS A 51 6.285 17.288 -2.673 1.00 0.00 C ATOM 739 C LYS A 51 7.394 16.403 -2.191 1.00 0.00 C ATOM 740 O LYS A 51 7.116 15.473 -1.475 1.00 0.00 O ATOM 741 CB LYS A 51 6.103 16.999 -4.168 1.00 0.00 C ATOM 742 CG LYS A 51 4.821 17.620 -4.712 1.00 0.00 C ATOM 743 CD LYS A 51 4.600 17.051 -6.126 1.00 0.00 C ATOM 744 CE LYS A 51 3.279 17.547 -6.688 1.00 0.00 C ATOM 745 NZ LYS A 51 3.085 17.015 -8.065 1.00 0.00 N ATOM 0 H LYS A 51 7.354 19.073 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 51 5.316 17.134 -2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.958 17.388 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.082 15.921 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.975 17.383 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.904 18.706 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.418 17.353 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.604 15.962 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.458 17.228 -6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.266 18.637 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.834 17.794 -8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.965 16.568 -8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.320 16.310 -8.060 1.00 0.00 H new ATOM 759 N GLN A 52 8.600 16.712 -2.604 1.00 0.00 N ATOM 760 CA GLN A 52 9.800 15.909 -2.195 1.00 0.00 C ATOM 761 C GLN A 52 9.641 15.135 -0.864 1.00 0.00 C ATOM 762 O GLN A 52 9.687 13.926 -0.894 1.00 0.00 O ATOM 763 CB GLN A 52 11.027 16.874 -2.124 1.00 0.00 C ATOM 764 CG GLN A 52 11.715 16.916 -3.502 1.00 0.00 C ATOM 765 CD GLN A 52 10.759 17.526 -4.525 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.686 18.727 -4.667 1.00 0.00 O ATOM 767 NE2 GLN A 52 10.010 16.735 -5.243 1.00 0.00 N ATOM 0 H GLN A 52 8.808 17.500 -3.218 1.00 0.00 H new ATOM 0 HA GLN A 52 9.939 15.133 -2.948 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.703 17.874 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.729 16.534 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.631 17.505 -3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.001 15.910 -3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.073 15.724 -5.122 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.361 17.127 -5.925 1.00 0.00 H new ATOM 776 N PRO A 53 9.445 15.810 0.249 1.00 0.00 N ATOM 777 CA PRO A 53 9.274 15.169 1.591 1.00 0.00 C ATOM 778 C PRO A 53 8.247 14.028 1.638 1.00 0.00 C ATOM 779 O PRO A 53 8.452 12.995 2.245 1.00 0.00 O ATOM 780 CB PRO A 53 8.899 16.330 2.512 1.00 0.00 C ATOM 781 CG PRO A 53 8.349 17.404 1.539 1.00 0.00 C ATOM 782 CD PRO A 53 9.324 17.290 0.369 1.00 0.00 C ATOM 0 HA PRO A 53 10.189 14.660 1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.150 16.033 3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.762 16.696 3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.322 17.196 1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.356 18.400 1.982 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.934 17.748 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.281 17.767 0.581 1.00 0.00 H new ATOM 790 N TYR A 54 7.166 14.291 0.960 1.00 0.00 N ATOM 791 CA TYR A 54 6.017 13.337 0.867 1.00 0.00 C ATOM 792 C TYR A 54 6.260 12.262 -0.208 1.00 0.00 C ATOM 793 O TYR A 54 6.069 11.081 0.007 1.00 0.00 O ATOM 794 CB TYR A 54 4.757 14.144 0.527 1.00 0.00 C ATOM 795 CG TYR A 54 4.452 15.273 1.532 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.445 15.056 2.899 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.158 16.538 1.063 1.00 0.00 C ATOM 798 CE1 TYR A 54 4.148 16.084 3.773 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.862 17.564 1.935 1.00 0.00 C ATOM 800 CZ TYR A 54 3.853 17.346 3.295 1.00 0.00 C ATOM 801 OH TYR A 54 3.555 18.381 4.156 1.00 0.00 O ATOM 0 H TYR A 54 7.024 15.160 0.446 1.00 0.00 H new ATOM 0 HA TYR A 54 5.901 12.820 1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.871 14.576 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.904 13.467 0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.674 14.074 3.286 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.160 16.726 -0.000 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.146 15.900 4.837 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.635 18.547 1.549 1.00 0.00 H new ATOM 0 HH TYR A 54 3.006 18.044 4.895 1.00 0.00 H new ATOM 811 N GLU A 55 6.674 12.709 -1.358 1.00 0.00 N ATOM 812 CA GLU A 55 6.957 11.792 -2.503 1.00 0.00 C ATOM 813 C GLU A 55 7.990 10.726 -2.117 1.00 0.00 C ATOM 814 O GLU A 55 7.803 9.547 -2.345 1.00 0.00 O ATOM 815 CB GLU A 55 7.461 12.659 -3.680 1.00 0.00 C ATOM 816 CG GLU A 55 6.539 12.469 -4.900 1.00 0.00 C ATOM 817 CD GLU A 55 7.064 13.300 -6.084 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.129 12.953 -6.566 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.373 14.240 -6.444 1.00 0.00 O ATOM 0 H GLU A 55 6.833 13.696 -1.561 1.00 0.00 H new ATOM 0 HA GLU A 55 6.052 11.256 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.481 13.709 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.483 12.380 -3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.496 11.415 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.523 12.775 -4.651 1.00 0.00 H new ATOM 826 N LYS A 56 9.067 11.186 -1.542 1.00 0.00 N ATOM 827 CA LYS A 56 10.175 10.294 -1.095 1.00 0.00 C ATOM 828 C LYS A 56 9.573 9.147 -0.246 1.00 0.00 C ATOM 829 O LYS A 56 9.970 7.998 -0.316 1.00 0.00 O ATOM 830 CB LYS A 56 11.151 11.143 -0.262 1.00 0.00 C ATOM 831 CG LYS A 56 12.495 10.423 -0.050 1.00 0.00 C ATOM 832 CD LYS A 56 13.311 11.208 1.009 1.00 0.00 C ATOM 833 CE LYS A 56 14.771 10.722 1.027 1.00 0.00 C ATOM 834 NZ LYS A 56 15.455 11.130 -0.235 1.00 0.00 N ATOM 0 H LYS A 56 9.230 12.176 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 56 10.707 9.856 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.324 12.095 -0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.703 11.369 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.328 9.399 0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.047 10.367 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.278 12.274 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.864 11.075 1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.293 11.142 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.802 9.638 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.485 11.129 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.213 10.460 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.145 12.085 -0.505 1.00 0.00 H new ATOM 848 N LYS A 57 8.588 9.541 0.530 1.00 0.00 N ATOM 849 CA LYS A 57 7.867 8.597 1.440 1.00 0.00 C ATOM 850 C LYS A 57 7.171 7.550 0.562 1.00 0.00 C ATOM 851 O LYS A 57 7.398 6.366 0.706 1.00 0.00 O ATOM 852 CB LYS A 57 6.825 9.400 2.279 1.00 0.00 C ATOM 853 CG LYS A 57 7.022 9.221 3.800 1.00 0.00 C ATOM 854 CD LYS A 57 8.307 9.953 4.264 1.00 0.00 C ATOM 855 CE LYS A 57 8.400 9.889 5.798 1.00 0.00 C ATOM 856 NZ LYS A 57 9.607 10.630 6.265 1.00 0.00 N ATOM 0 H LYS A 57 8.248 10.502 0.569 1.00 0.00 H new ATOM 0 HA LYS A 57 8.552 8.102 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.901 10.458 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.820 9.079 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.158 9.615 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.091 8.161 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.186 9.490 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.289 10.991 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.503 10.320 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.451 8.850 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.664 10.583 7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.459 10.201 5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.541 11.624 5.967 1.00 0.00 H new ATOM 870 N ALA A 58 6.333 8.048 -0.315 1.00 0.00 N ATOM 871 CA ALA A 58 5.560 7.188 -1.272 1.00 0.00 C ATOM 872 C ALA A 58 6.399 6.008 -1.778 1.00 0.00 C ATOM 873 O ALA A 58 6.013 4.860 -1.679 1.00 0.00 O ATOM 874 CB ALA A 58 5.117 8.021 -2.483 1.00 0.00 C ATOM 0 H ALA A 58 6.146 9.046 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 58 4.695 6.801 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.557 7.390 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.485 8.843 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.995 8.422 -2.989 1.00 0.00 H new ATOM 880 N ALA A 59 7.540 6.365 -2.315 1.00 0.00 N ATOM 881 CA ALA A 59 8.493 5.350 -2.867 1.00 0.00 C ATOM 882 C ALA A 59 8.742 4.217 -1.866 1.00 0.00 C ATOM 883 O ALA A 59 8.451 3.066 -2.137 1.00 0.00 O ATOM 884 CB ALA A 59 9.821 6.060 -3.211 1.00 0.00 C ATOM 0 H ALA A 59 7.857 7.331 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 59 8.060 4.904 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.527 5.335 -3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.636 6.838 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.238 6.509 -2.309 1.00 0.00 H new ATOM 890 N LYS A 60 9.273 4.593 -0.732 1.00 0.00 N ATOM 891 CA LYS A 60 9.579 3.608 0.344 1.00 0.00 C ATOM 892 C LYS A 60 8.350 2.758 0.662 1.00 0.00 C ATOM 893 O LYS A 60 8.436 1.552 0.733 1.00 0.00 O ATOM 894 CB LYS A 60 10.057 4.397 1.579 1.00 0.00 C ATOM 895 CG LYS A 60 10.452 3.406 2.708 1.00 0.00 C ATOM 896 CD LYS A 60 11.223 4.120 3.845 1.00 0.00 C ATOM 897 CE LYS A 60 12.640 4.510 3.367 1.00 0.00 C ATOM 898 NZ LYS A 60 13.405 5.140 4.479 1.00 0.00 N ATOM 0 H LYS A 60 9.511 5.558 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 60 10.361 2.919 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.910 5.023 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.267 5.063 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.555 2.938 3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.068 2.608 2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.679 5.011 4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.292 3.466 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.167 3.625 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.571 5.201 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.355 5.397 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.908 5.995 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.486 4.468 5.269 1.00 0.00 H new ATOM 912 N LEU A 61 7.234 3.411 0.845 1.00 0.00 N ATOM 913 CA LEU A 61 5.976 2.674 1.160 1.00 0.00 C ATOM 914 C LEU A 61 5.722 1.572 0.126 1.00 0.00 C ATOM 915 O LEU A 61 5.649 0.418 0.500 1.00 0.00 O ATOM 916 CB LEU A 61 4.822 3.696 1.196 1.00 0.00 C ATOM 917 CG LEU A 61 5.003 4.744 2.366 1.00 0.00 C ATOM 918 CD1 LEU A 61 3.710 4.750 3.178 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.194 4.453 3.344 1.00 0.00 C ATOM 0 H LEU A 61 7.139 4.425 0.790 1.00 0.00 H new ATOM 0 HA LEU A 61 6.056 2.182 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.771 4.221 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.875 3.171 1.321 1.00 0.00 H new ATOM 0 HG LEU A 61 5.232 5.700 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.798 5.464 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.878 5.036 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.530 3.754 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.234 5.228 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.047 3.482 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.130 4.447 2.786 1.00 0.00 H new ATOM 931 N LYS A 62 5.596 1.934 -1.132 1.00 0.00 N ATOM 932 CA LYS A 62 5.353 0.885 -2.179 1.00 0.00 C ATOM 933 C LYS A 62 6.337 -0.282 -1.995 1.00 0.00 C ATOM 934 O LYS A 62 5.950 -1.430 -1.907 1.00 0.00 O ATOM 935 CB LYS A 62 5.574 1.425 -3.595 1.00 0.00 C ATOM 936 CG LYS A 62 4.531 2.480 -3.993 1.00 0.00 C ATOM 937 CD LYS A 62 4.746 2.887 -5.480 1.00 0.00 C ATOM 938 CE LYS A 62 4.569 1.669 -6.426 1.00 0.00 C ATOM 939 NZ LYS A 62 4.632 2.106 -7.847 1.00 0.00 N ATOM 0 H LYS A 62 5.650 2.893 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 62 4.318 0.565 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.571 1.861 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.539 0.599 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.525 2.083 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.619 3.355 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.037 3.668 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.745 3.306 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.347 0.932 -6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.613 1.183 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.512 1.281 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.874 2.793 -8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.554 2.549 -8.033 1.00 0.00 H new