USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 780 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 47 ASN : amide:sc= 2.2 K(o=3.4,f=-6.5!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -175:sc= 1.2 (180deg=-0.0341) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0701 USER MOD Single : A 17 TYR OH : rot 180:sc= 0.986 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 90:sc= 1.23 USER MOD Single : A 22 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.4!) USER MOD Single : A 27 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.026) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 49 TYR OH : rot -130:sc=-0.00853 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00432 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.318 K(o=-0.32,f=-0.86) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -140:sc= -10.4! (180deg=-12.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -84:sc= 1.26 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.13) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -2.02 K(o=-2,f=-3.4!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : B 396 LYS NZ :NH3+ 156:sc= 2.41 (180deg=-0.0781) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -7.353 11.783 -8.924 1.00 0.00 N ATOM 140 CA PHE A 14 -6.415 10.933 -8.193 1.00 0.00 C ATOM 141 C PHE A 14 -6.775 10.870 -6.716 1.00 0.00 C ATOM 142 O PHE A 14 -5.897 10.855 -5.854 1.00 0.00 O ATOM 143 CB PHE A 14 -4.976 11.442 -8.352 1.00 0.00 C ATOM 144 CG PHE A 14 -4.458 11.374 -9.758 1.00 0.00 C ATOM 145 CD1 PHE A 14 -4.097 10.160 -10.318 1.00 0.00 C ATOM 146 CD2 PHE A 14 -4.328 12.526 -10.518 1.00 0.00 C ATOM 147 CE1 PHE A 14 -3.620 10.094 -11.613 1.00 0.00 C ATOM 148 CE2 PHE A 14 -3.851 12.466 -11.811 1.00 0.00 C ATOM 149 CZ PHE A 14 -3.495 11.248 -12.359 1.00 0.00 C ATOM 0 HA PHE A 14 -6.483 9.930 -8.615 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.926 12.475 -8.007 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.321 10.858 -7.706 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.189 9.255 -9.736 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.603 13.480 -10.093 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.346 9.141 -12.041 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.756 13.370 -12.395 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.119 11.200 -13.370 1.00 0.00 H new ATOM 159 N SER A 15 -8.067 10.831 -6.425 1.00 0.00 N ATOM 160 CA SER A 15 -8.533 10.772 -5.051 1.00 0.00 C ATOM 161 C SER A 15 -8.124 9.449 -4.413 1.00 0.00 C ATOM 162 O SER A 15 -7.793 9.389 -3.227 1.00 0.00 O ATOM 163 CB SER A 15 -10.049 10.948 -5.006 1.00 0.00 C ATOM 164 OG SER A 15 -10.659 10.357 -6.140 1.00 0.00 O ATOM 0 H SER A 15 -8.810 10.839 -7.124 1.00 0.00 H new ATOM 0 HA SER A 15 -8.074 11.582 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.445 10.495 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.295 12.009 -4.967 1.00 0.00 H new ATOM 0 HG SER A 15 -11.630 10.480 -6.090 1.00 0.00 H new ATOM 170 N GLU A 16 -8.126 8.394 -5.218 1.00 0.00 N ATOM 171 CA GLU A 16 -7.738 7.077 -4.752 1.00 0.00 C ATOM 172 C GLU A 16 -6.234 7.037 -4.554 1.00 0.00 C ATOM 173 O GLU A 16 -5.753 6.631 -3.499 1.00 0.00 O ATOM 174 CB GLU A 16 -8.185 6.007 -5.747 1.00 0.00 C ATOM 175 CG GLU A 16 -9.661 6.094 -6.087 1.00 0.00 C ATOM 176 CD GLU A 16 -10.021 5.327 -7.339 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.186 5.255 -8.262 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.148 4.797 -7.406 1.00 0.00 O ATOM 0 H GLU A 16 -8.394 8.430 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.226 6.871 -3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.601 6.103 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.970 5.022 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.245 5.710 -5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.938 7.140 -6.215 1.00 0.00 H new ATOM 185 N TYR A 17 -5.499 7.487 -5.569 1.00 0.00 N ATOM 186 CA TYR A 17 -4.046 7.526 -5.497 1.00 0.00 C ATOM 187 C TYR A 17 -3.608 8.364 -4.301 1.00 0.00 C ATOM 188 O TYR A 17 -2.656 8.017 -3.605 1.00 0.00 O ATOM 189 CB TYR A 17 -3.452 8.095 -6.794 1.00 0.00 C ATOM 190 CG TYR A 17 -1.937 8.127 -6.807 1.00 0.00 C ATOM 191 CD1 TYR A 17 -1.197 6.951 -6.866 1.00 0.00 C ATOM 192 CD2 TYR A 17 -1.249 9.333 -6.754 1.00 0.00 C ATOM 193 CE1 TYR A 17 0.185 6.979 -6.872 1.00 0.00 C ATOM 194 CE2 TYR A 17 0.131 9.368 -6.763 1.00 0.00 C ATOM 195 CZ TYR A 17 0.844 8.189 -6.820 1.00 0.00 C ATOM 196 OH TYR A 17 2.221 8.223 -6.819 1.00 0.00 O ATOM 0 H TYR A 17 -5.888 7.828 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.676 6.508 -5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.801 7.497 -7.636 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.829 9.107 -6.943 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.710 6.001 -6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.803 10.259 -6.705 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.746 6.057 -6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.650 10.314 -6.726 1.00 0.00 H new ATOM 0 HH TYR A 17 2.525 9.154 -6.780 1.00 0.00 H new ATOM 206 N SER A 18 -4.322 9.457 -4.060 1.00 0.00 N ATOM 207 CA SER A 18 -4.024 10.338 -2.942 1.00 0.00 C ATOM 208 C SER A 18 -4.182 9.601 -1.613 1.00 0.00 C ATOM 209 O SER A 18 -3.300 9.663 -0.761 1.00 0.00 O ATOM 210 CB SER A 18 -4.936 11.568 -2.976 1.00 0.00 C ATOM 211 OG SER A 18 -4.505 12.559 -2.055 1.00 0.00 O ATOM 0 H SER A 18 -5.115 9.754 -4.628 1.00 0.00 H new ATOM 0 HA SER A 18 -2.988 10.665 -3.032 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.948 11.986 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.958 11.271 -2.741 1.00 0.00 H new ATOM 0 HG SER A 18 -5.106 13.332 -2.101 1.00 0.00 H new ATOM 217 N ARG A 19 -5.293 8.886 -1.447 1.00 0.00 N ATOM 218 CA ARG A 19 -5.542 8.144 -0.213 1.00 0.00 C ATOM 219 C ARG A 19 -4.445 7.110 0.033 1.00 0.00 C ATOM 220 O ARG A 19 -4.072 6.847 1.176 1.00 0.00 O ATOM 221 CB ARG A 19 -6.911 7.456 -0.252 1.00 0.00 C ATOM 222 CG ARG A 19 -8.072 8.385 0.071 1.00 0.00 C ATOM 223 CD ARG A 19 -9.385 7.626 0.221 1.00 0.00 C ATOM 224 NE ARG A 19 -9.505 6.967 1.527 1.00 0.00 N ATOM 225 CZ ARG A 19 -10.636 6.426 1.995 1.00 0.00 C ATOM 226 NH1 ARG A 19 -11.749 6.449 1.265 1.00 0.00 N ATOM 227 NH2 ARG A 19 -10.661 5.870 3.201 1.00 0.00 N ATOM 0 H ARG A 19 -6.031 8.805 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.537 8.860 0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.065 7.028 -1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.912 6.628 0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.858 8.926 0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.172 9.129 -0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.218 8.317 0.088 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.461 6.878 -0.568 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.673 6.918 2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.744 6.881 0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.607 6.034 1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.817 5.855 3.773 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.525 5.458 3.555 1.00 0.00 H new ATOM 241 N ILE A 20 -3.936 6.524 -1.043 1.00 0.00 N ATOM 242 CA ILE A 20 -2.877 5.529 -0.941 1.00 0.00 C ATOM 243 C ILE A 20 -1.540 6.203 -0.616 1.00 0.00 C ATOM 244 O ILE A 20 -0.845 5.817 0.325 1.00 0.00 O ATOM 245 CB ILE A 20 -2.740 4.705 -2.249 1.00 0.00 C ATOM 246 CG1 ILE A 20 -3.673 3.495 -2.222 1.00 0.00 C ATOM 247 CG2 ILE A 20 -1.304 4.246 -2.473 1.00 0.00 C ATOM 248 CD1 ILE A 20 -5.082 3.791 -2.681 1.00 0.00 C ATOM 0 H ILE A 20 -4.240 6.721 -1.997 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.146 4.847 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.022 5.356 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.254 2.712 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.709 3.100 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.246 3.672 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.651 5.116 -2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.987 3.621 -1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.679 2.881 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.523 4.550 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.061 4.156 -3.708 1.00 0.00 H new ATOM 260 N SER A 21 -1.205 7.227 -1.393 1.00 0.00 N ATOM 261 CA SER A 21 0.046 7.962 -1.218 1.00 0.00 C ATOM 262 C SER A 21 0.113 8.613 0.159 1.00 0.00 C ATOM 263 O SER A 21 1.180 8.675 0.774 1.00 0.00 O ATOM 264 CB SER A 21 0.192 9.021 -2.311 1.00 0.00 C ATOM 265 OG SER A 21 -0.006 8.450 -3.595 1.00 0.00 O ATOM 0 H SER A 21 -1.787 7.571 -2.157 1.00 0.00 H new ATOM 0 HA SER A 21 0.870 7.253 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.531 9.820 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.183 9.472 -2.257 1.00 0.00 H new ATOM 0 HG SER A 21 -0.954 8.507 -3.836 1.00 0.00 H new ATOM 271 N ASN A 22 -1.033 9.083 0.642 1.00 0.00 N ATOM 272 CA ASN A 22 -1.110 9.722 1.950 1.00 0.00 C ATOM 273 C ASN A 22 -0.646 8.771 3.041 1.00 0.00 C ATOM 274 O ASN A 22 -0.003 9.194 3.998 1.00 0.00 O ATOM 275 CB ASN A 22 -2.538 10.191 2.246 1.00 0.00 C ATOM 276 CG ASN A 22 -2.750 11.653 1.902 1.00 0.00 C ATOM 277 OD1 ASN A 22 -1.796 12.424 1.808 1.00 0.00 O ATOM 278 ND2 ASN A 22 -3.998 12.050 1.713 1.00 0.00 N ATOM 0 H ASN A 22 -1.923 9.033 0.145 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.452 10.591 1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.242 9.582 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.758 10.034 3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.194 13.024 1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.764 11.382 1.799 1.00 0.00 H new ATOM 285 N LEU A 23 -0.953 7.485 2.882 1.00 0.00 N ATOM 286 CA LEU A 23 -0.550 6.483 3.862 1.00 0.00 C ATOM 287 C LEU A 23 0.964 6.483 4.034 1.00 0.00 C ATOM 288 O LEU A 23 1.469 6.445 5.152 1.00 0.00 O ATOM 289 CB LEU A 23 -1.030 5.082 3.446 1.00 0.00 C ATOM 290 CG LEU A 23 -0.203 3.919 4.012 1.00 0.00 C ATOM 291 CD1 LEU A 23 -1.097 2.770 4.412 1.00 0.00 C ATOM 292 CD2 LEU A 23 0.833 3.443 3.003 1.00 0.00 C ATOM 0 H LEU A 23 -1.476 7.116 2.088 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.015 6.740 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.066 4.960 3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.021 5.019 2.358 1.00 0.00 H new ATOM 0 HG LEU A 23 0.317 4.284 4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.489 1.958 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.800 3.105 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.648 2.417 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.405 2.619 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.330 3.105 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.507 4.264 2.759 1.00 0.00 H new ATOM 304 N ILE A 24 1.678 6.544 2.919 1.00 0.00 N ATOM 305 CA ILE A 24 3.135 6.536 2.936 1.00 0.00 C ATOM 306 C ILE A 24 3.677 7.729 3.713 1.00 0.00 C ATOM 307 O ILE A 24 4.500 7.572 4.611 1.00 0.00 O ATOM 308 CB ILE A 24 3.711 6.529 1.495 1.00 0.00 C ATOM 309 CG1 ILE A 24 3.769 5.095 0.963 1.00 0.00 C ATOM 310 CG2 ILE A 24 5.096 7.175 1.429 1.00 0.00 C ATOM 311 CD1 ILE A 24 4.622 4.178 1.812 1.00 0.00 C ATOM 0 H ILE A 24 1.270 6.600 1.986 1.00 0.00 H new ATOM 0 HA ILE A 24 3.453 5.622 3.437 1.00 0.00 H new ATOM 0 HB ILE A 24 3.045 7.123 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.757 4.693 0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.161 5.107 -0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.461 7.149 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.031 8.210 1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.784 6.627 2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.621 3.177 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.643 4.558 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.217 4.137 2.823 1.00 0.00 H new ATOM 323 N VAL A 25 3.178 8.908 3.389 1.00 0.00 N ATOM 324 CA VAL A 25 3.628 10.128 4.039 1.00 0.00 C ATOM 325 C VAL A 25 3.197 10.185 5.506 1.00 0.00 C ATOM 326 O VAL A 25 4.023 10.399 6.396 1.00 0.00 O ATOM 327 CB VAL A 25 3.096 11.375 3.300 1.00 0.00 C ATOM 328 CG1 VAL A 25 3.701 12.647 3.874 1.00 0.00 C ATOM 329 CG2 VAL A 25 3.376 11.272 1.808 1.00 0.00 C ATOM 0 H VAL A 25 2.460 9.048 2.679 1.00 0.00 H new ATOM 0 HA VAL A 25 4.717 10.121 4.001 1.00 0.00 H new ATOM 0 HB VAL A 25 2.017 11.420 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.310 13.511 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.442 12.729 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.785 12.614 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.994 12.160 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.451 11.196 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.884 10.386 1.406 1.00 0.00 H new ATOM 339 N LEU A 26 1.911 9.968 5.751 1.00 0.00 N ATOM 340 CA LEU A 26 1.360 10.026 7.100 1.00 0.00 C ATOM 341 C LEU A 26 1.953 8.964 8.017 1.00 0.00 C ATOM 342 O LEU A 26 2.245 9.239 9.182 1.00 0.00 O ATOM 343 CB LEU A 26 -0.157 9.876 7.056 1.00 0.00 C ATOM 344 CG LEU A 26 -0.906 11.073 6.473 1.00 0.00 C ATOM 345 CD1 LEU A 26 -2.259 10.636 5.942 1.00 0.00 C ATOM 346 CD2 LEU A 26 -1.070 12.165 7.522 1.00 0.00 C ATOM 0 H LEU A 26 1.226 9.749 5.028 1.00 0.00 H new ATOM 0 HA LEU A 26 1.625 11.000 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.403 8.991 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.519 9.698 8.068 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.323 11.479 5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.783 11.498 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.119 9.888 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.847 10.208 6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.606 13.009 7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.634 11.774 8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.088 12.494 7.861 1.00 0.00 H new ATOM 358 N HIS A 27 2.125 7.752 7.514 1.00 0.00 N ATOM 359 CA HIS A 27 2.674 6.691 8.341 1.00 0.00 C ATOM 360 C HIS A 27 4.169 6.876 8.565 1.00 0.00 C ATOM 361 O HIS A 27 4.655 6.633 9.665 1.00 0.00 O ATOM 362 CB HIS A 27 2.402 5.309 7.754 1.00 0.00 C ATOM 363 CG HIS A 27 2.289 4.250 8.809 1.00 0.00 C ATOM 364 ND1 HIS A 27 2.922 3.027 8.732 1.00 0.00 N ATOM 365 CD2 HIS A 27 1.611 4.245 9.984 1.00 0.00 C ATOM 366 CE1 HIS A 27 2.636 2.318 9.812 1.00 0.00 C ATOM 367 NE2 HIS A 27 1.846 3.033 10.584 1.00 0.00 N ATOM 0 H HIS A 27 1.898 7.482 6.557 1.00 0.00 H new ATOM 0 HA HIS A 27 2.166 6.755 9.303 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.480 5.339 7.174 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.204 5.046 7.064 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.000 5.045 10.375 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.991 1.320 10.024 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.469 2.735 11.484 1.00 0.00 H new ATOM 376 N LEU A 28 4.899 7.304 7.538 1.00 0.00 N ATOM 377 CA LEU A 28 6.341 7.507 7.674 1.00 0.00 C ATOM 378 C LEU A 28 6.635 8.575 8.723 1.00 0.00 C ATOM 379 O LEU A 28 7.489 8.378 9.589 1.00 0.00 O ATOM 380 CB LEU A 28 6.978 7.880 6.326 1.00 0.00 C ATOM 381 CG LEU A 28 8.491 7.641 6.213 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.280 8.811 6.786 1.00 0.00 C ATOM 383 CD2 LEU A 28 8.873 6.345 6.912 1.00 0.00 C ATOM 0 H LEU A 28 4.523 7.515 6.614 1.00 0.00 H new ATOM 0 HA LEU A 28 6.784 6.567 8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.480 7.312 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.780 8.934 6.131 1.00 0.00 H new ATOM 0 HG LEU A 28 8.742 7.557 5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.347 8.611 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.031 9.720 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.027 8.940 7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.948 6.188 6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.600 6.406 7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.345 5.512 6.448 1.00 0.00 H new ATOM 395 N ARG A 29 5.910 9.691 8.662 1.00 0.00 N ATOM 396 CA ARG A 29 6.103 10.771 9.627 1.00 0.00 C ATOM 397 C ARG A 29 5.750 10.291 11.034 1.00 0.00 C ATOM 398 O ARG A 29 6.298 10.768 12.025 1.00 0.00 O ATOM 399 CB ARG A 29 5.285 12.011 9.246 1.00 0.00 C ATOM 400 CG ARG A 29 3.780 11.805 9.266 1.00 0.00 C ATOM 401 CD ARG A 29 3.046 13.037 8.761 1.00 0.00 C ATOM 402 NE ARG A 29 3.229 14.183 9.652 1.00 0.00 N ATOM 403 CZ ARG A 29 3.047 15.449 9.281 1.00 0.00 C ATOM 404 NH1 ARG A 29 2.662 15.733 8.041 1.00 0.00 N ATOM 405 NH2 ARG A 29 3.239 16.431 10.154 1.00 0.00 N ATOM 0 H ARG A 29 5.190 9.870 7.962 1.00 0.00 H new ATOM 0 HA ARG A 29 7.154 11.058 9.613 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.537 12.821 9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.581 12.333 8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.520 10.946 8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.456 11.577 10.281 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.406 13.291 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.983 12.814 8.669 1.00 0.00 H new ATOM 0 HE ARG A 29 3.513 14.001 10.615 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.505 14.980 7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.523 16.704 7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.526 16.216 11.109 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.100 17.401 9.870 1.00 0.00 H new ATOM 419 N LYS A 30 4.823 9.347 11.110 1.00 0.00 N ATOM 420 CA LYS A 30 4.420 8.766 12.381 1.00 0.00 C ATOM 421 C LYS A 30 5.526 7.846 12.899 1.00 0.00 C ATOM 422 O LYS A 30 5.863 7.852 14.085 1.00 0.00 O ATOM 423 CB LYS A 30 3.115 7.982 12.206 1.00 0.00 C ATOM 424 CG LYS A 30 2.665 7.247 13.458 1.00 0.00 C ATOM 425 CD LYS A 30 2.041 8.195 14.464 1.00 0.00 C ATOM 426 CE LYS A 30 1.701 7.482 15.761 1.00 0.00 C ATOM 427 NZ LYS A 30 0.865 8.326 16.655 1.00 0.00 N ATOM 0 H LYS A 30 4.334 8.966 10.300 1.00 0.00 H new ATOM 0 HA LYS A 30 4.254 9.563 13.106 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.328 8.670 11.898 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.242 7.261 11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.945 6.475 13.189 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.518 6.743 13.912 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.729 9.016 14.668 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.137 8.634 14.041 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.172 6.555 15.538 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.621 7.208 16.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.655 7.803 17.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.379 9.199 16.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.025 8.567 16.173 1.00 0.00 H new ATOM 441 N VAL A 31 6.097 7.073 11.979 1.00 0.00 N ATOM 442 CA VAL A 31 7.159 6.126 12.293 1.00 0.00 C ATOM 443 C VAL A 31 8.430 6.840 12.749 1.00 0.00 C ATOM 444 O VAL A 31 9.048 6.439 13.730 1.00 0.00 O ATOM 445 CB VAL A 31 7.471 5.221 11.076 1.00 0.00 C ATOM 446 CG1 VAL A 31 8.750 4.432 11.295 1.00 0.00 C ATOM 447 CG2 VAL A 31 6.308 4.277 10.810 1.00 0.00 C ATOM 0 H VAL A 31 5.835 7.087 10.993 1.00 0.00 H new ATOM 0 HA VAL A 31 6.803 5.504 13.114 1.00 0.00 H new ATOM 0 HB VAL A 31 7.614 5.861 10.205 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.944 3.805 10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.582 5.121 11.439 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.643 3.803 12.179 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.540 3.646 9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.140 3.650 11.686 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.409 4.857 10.601 1.00 0.00 H new ATOM 457 N GLU A 32 8.812 7.901 12.050 1.00 0.00 N ATOM 458 CA GLU A 32 10.011 8.652 12.414 1.00 0.00 C ATOM 459 C GLU A 32 9.831 9.305 13.784 1.00 0.00 C ATOM 460 O GLU A 32 10.793 9.510 14.517 1.00 0.00 O ATOM 461 CB GLU A 32 10.349 9.711 11.356 1.00 0.00 C ATOM 462 CG GLU A 32 9.240 10.719 11.116 1.00 0.00 C ATOM 463 CD GLU A 32 9.685 11.911 10.294 1.00 0.00 C ATOM 464 OE1 GLU A 32 10.045 11.730 9.113 1.00 0.00 O ATOM 465 OE2 GLU A 32 9.670 13.042 10.826 1.00 0.00 O ATOM 0 H GLU A 32 8.316 8.260 11.235 1.00 0.00 H new ATOM 0 HA GLU A 32 10.845 7.952 12.463 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.249 10.243 11.664 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.580 9.210 10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.412 10.224 10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.862 11.069 12.076 1.00 0.00 H new ATOM 472 N GLU A 33 8.588 9.612 14.125 1.00 0.00 N ATOM 473 CA GLU A 33 8.278 10.238 15.399 1.00 0.00 C ATOM 474 C GLU A 33 8.487 9.263 16.560 1.00 0.00 C ATOM 475 O GLU A 33 8.997 9.642 17.612 1.00 0.00 O ATOM 476 CB GLU A 33 6.836 10.758 15.381 1.00 0.00 C ATOM 477 CG GLU A 33 6.338 11.281 16.720 1.00 0.00 C ATOM 478 CD GLU A 33 7.226 12.364 17.302 1.00 0.00 C ATOM 479 OE1 GLU A 33 7.554 13.326 16.578 1.00 0.00 O ATOM 480 OE2 GLU A 33 7.583 12.267 18.494 1.00 0.00 O ATOM 0 H GLU A 33 7.776 9.436 13.534 1.00 0.00 H new ATOM 0 HA GLU A 33 8.958 11.077 15.549 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.760 11.556 14.642 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.177 9.955 15.051 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.329 11.674 16.597 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.274 10.453 17.426 1.00 0.00 H new ATOM 487 N GLU A 34 8.119 8.003 16.366 1.00 0.00 N ATOM 488 CA GLU A 34 8.257 7.011 17.430 1.00 0.00 C ATOM 489 C GLU A 34 9.473 6.107 17.225 1.00 0.00 C ATOM 490 O GLU A 34 10.440 6.180 17.983 1.00 0.00 O ATOM 491 CB GLU A 34 6.982 6.175 17.532 1.00 0.00 C ATOM 492 CG GLU A 34 5.714 7.008 17.432 1.00 0.00 C ATOM 493 CD GLU A 34 4.534 6.377 18.135 1.00 0.00 C ATOM 494 OE1 GLU A 34 4.276 5.175 17.923 1.00 0.00 O ATOM 495 OE2 GLU A 34 3.844 7.085 18.897 1.00 0.00 O ATOM 0 H GLU A 34 7.728 7.645 15.495 1.00 0.00 H new ATOM 0 HA GLU A 34 8.414 7.550 18.364 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.981 5.426 16.740 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.982 5.637 18.480 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.899 7.994 17.859 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.466 7.157 16.381 1.00 0.00 H new ATOM 502 N GLU A 35 9.418 5.253 16.205 1.00 0.00 N ATOM 503 CA GLU A 35 10.510 4.334 15.903 1.00 0.00 C ATOM 504 C GLU A 35 11.791 5.086 15.551 1.00 0.00 C ATOM 505 O GLU A 35 12.885 4.673 15.937 1.00 0.00 O ATOM 506 CB GLU A 35 10.113 3.420 14.742 1.00 0.00 C ATOM 507 CG GLU A 35 9.394 2.148 15.167 1.00 0.00 C ATOM 508 CD GLU A 35 8.239 2.395 16.113 1.00 0.00 C ATOM 509 OE1 GLU A 35 7.290 3.114 15.731 1.00 0.00 O ATOM 510 OE2 GLU A 35 8.272 1.864 17.244 1.00 0.00 O ATOM 0 H GLU A 35 8.623 5.179 15.571 1.00 0.00 H new ATOM 0 HA GLU A 35 10.702 3.736 16.794 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.470 3.976 14.060 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.010 3.148 14.185 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.023 1.636 14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.109 1.479 15.646 1.00 0.00 H new ATOM 517 N ASP A 36 11.636 6.170 14.784 1.00 0.00 N ATOM 518 CA ASP A 36 12.754 7.022 14.352 1.00 0.00 C ATOM 519 C ASP A 36 13.617 6.338 13.293 1.00 0.00 C ATOM 520 O ASP A 36 14.519 6.948 12.733 1.00 0.00 O ATOM 521 CB ASP A 36 13.633 7.435 15.538 1.00 0.00 C ATOM 522 CG ASP A 36 13.749 8.937 15.682 1.00 0.00 C ATOM 523 OD1 ASP A 36 14.165 9.610 14.715 1.00 0.00 O ATOM 524 OD2 ASP A 36 13.431 9.454 16.774 1.00 0.00 O ATOM 0 H ASP A 36 10.728 6.484 14.443 1.00 0.00 H new ATOM 0 HA ASP A 36 12.309 7.914 13.911 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.219 7.017 16.455 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.628 7.008 15.414 1.00 0.00 H new ATOM 529 N GLU A 37 13.342 5.074 13.019 1.00 0.00 N ATOM 530 CA GLU A 37 14.109 4.328 12.031 1.00 0.00 C ATOM 531 C GLU A 37 13.530 4.498 10.639 1.00 0.00 C ATOM 532 O GLU A 37 14.221 4.314 9.636 1.00 0.00 O ATOM 533 CB GLU A 37 14.151 2.852 12.412 1.00 0.00 C ATOM 534 CG GLU A 37 14.810 2.598 13.757 1.00 0.00 C ATOM 535 CD GLU A 37 16.320 2.630 13.677 1.00 0.00 C ATOM 536 OE1 GLU A 37 16.912 3.720 13.818 1.00 0.00 O ATOM 537 OE2 GLU A 37 16.925 1.561 13.465 1.00 0.00 O ATOM 0 H GLU A 37 12.595 4.542 13.465 1.00 0.00 H new ATOM 0 HA GLU A 37 15.124 4.724 12.019 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.134 2.460 12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.689 2.300 11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.471 3.348 14.471 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.490 1.628 14.137 1.00 0.00 H new ATOM 544 N SER A 38 12.262 4.861 10.603 1.00 0.00 N ATOM 545 CA SER A 38 11.527 5.069 9.358 1.00 0.00 C ATOM 546 C SER A 38 11.507 3.802 8.489 1.00 0.00 C ATOM 547 O SER A 38 11.261 3.864 7.284 1.00 0.00 O ATOM 548 CB SER A 38 12.125 6.255 8.594 1.00 0.00 C ATOM 549 OG SER A 38 12.318 7.368 9.459 1.00 0.00 O ATOM 0 H SER A 38 11.703 5.023 11.441 1.00 0.00 H new ATOM 0 HA SER A 38 10.491 5.296 9.607 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.077 5.964 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.464 6.536 7.774 1.00 0.00 H new ATOM 0 HG SER A 38 12.702 8.114 8.952 1.00 0.00 H new ATOM 555 N ALA A 39 11.746 2.652 9.116 1.00 0.00 N ATOM 556 CA ALA A 39 11.756 1.377 8.410 1.00 0.00 C ATOM 557 C ALA A 39 10.390 0.704 8.494 1.00 0.00 C ATOM 558 O ALA A 39 9.755 0.713 9.549 1.00 0.00 O ATOM 559 CB ALA A 39 12.837 0.468 8.977 1.00 0.00 C ATOM 0 H ALA A 39 11.936 2.579 10.116 1.00 0.00 H new ATOM 0 HA ALA A 39 11.977 1.566 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.833 -0.481 8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.810 0.945 8.863 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.643 0.288 10.034 1.00 0.00 H new ATOM 565 N LEU A 40 9.950 0.116 7.385 1.00 0.00 N ATOM 566 CA LEU A 40 8.647 -0.548 7.320 1.00 0.00 C ATOM 567 C LEU A 40 8.700 -1.780 6.415 1.00 0.00 C ATOM 568 O LEU A 40 9.633 -1.940 5.626 1.00 0.00 O ATOM 569 CB LEU A 40 7.591 0.425 6.787 1.00 0.00 C ATOM 570 CG LEU A 40 7.273 1.610 7.698 1.00 0.00 C ATOM 571 CD1 LEU A 40 6.588 2.719 6.918 1.00 0.00 C ATOM 572 CD2 LEU A 40 6.402 1.166 8.860 1.00 0.00 C ATOM 0 H LEU A 40 10.479 0.085 6.513 1.00 0.00 H new ATOM 0 HA LEU A 40 8.382 -0.867 8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.928 0.809 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.670 -0.129 6.605 1.00 0.00 H new ATOM 0 HG LEU A 40 8.211 1.998 8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.371 3.553 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.243 3.058 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.658 2.343 6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.185 2.022 9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.469 0.752 8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.927 0.405 9.438 1.00 0.00 H new ATOM 584 N LYS A 41 7.692 -2.641 6.532 1.00 0.00 N ATOM 585 CA LYS A 41 7.608 -3.852 5.722 1.00 0.00 C ATOM 586 C LYS A 41 6.611 -3.649 4.582 1.00 0.00 C ATOM 587 O LYS A 41 5.543 -3.067 4.784 1.00 0.00 O ATOM 588 CB LYS A 41 7.204 -5.050 6.595 1.00 0.00 C ATOM 589 CG LYS A 41 7.229 -6.383 5.859 1.00 0.00 C ATOM 590 CD LYS A 41 7.454 -7.550 6.810 1.00 0.00 C ATOM 591 CE LYS A 41 6.217 -7.851 7.639 1.00 0.00 C ATOM 592 NZ LYS A 41 6.363 -9.119 8.401 1.00 0.00 N ATOM 0 H LYS A 41 6.918 -2.520 7.185 1.00 0.00 H new ATOM 0 HA LYS A 41 8.587 -4.061 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.875 -5.106 7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.201 -4.880 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.287 -6.523 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.019 -6.369 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.733 -8.435 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.289 -7.323 7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.034 -7.029 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.347 -7.917 6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.500 -9.292 8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.513 -9.907 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.178 -9.046 9.043 1.00 0.00 H new ATOM 606 N ARG A 42 6.959 -4.145 3.392 1.00 0.00 N ATOM 607 CA ARG A 42 6.116 -3.990 2.199 1.00 0.00 C ATOM 608 C ARG A 42 4.683 -4.483 2.410 1.00 0.00 C ATOM 609 O ARG A 42 3.736 -3.701 2.359 1.00 0.00 O ATOM 610 CB ARG A 42 6.712 -4.760 1.014 1.00 0.00 C ATOM 611 CG ARG A 42 8.169 -4.452 0.718 1.00 0.00 C ATOM 612 CD ARG A 42 8.647 -5.252 -0.483 1.00 0.00 C ATOM 613 NE ARG A 42 10.102 -5.234 -0.637 1.00 0.00 N ATOM 614 CZ ARG A 42 10.716 -5.160 -1.817 1.00 0.00 C ATOM 615 NH1 ARG A 42 9.999 -5.068 -2.933 1.00 0.00 N ATOM 616 NH2 ARG A 42 12.042 -5.182 -1.884 1.00 0.00 N ATOM 0 H ARG A 42 7.823 -4.661 3.227 1.00 0.00 H new ATOM 0 HA ARG A 42 6.086 -2.920 1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.614 -5.828 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.122 -4.542 0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.290 -3.386 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.781 -4.689 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.310 -6.284 -0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.186 -4.852 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 42 10.677 -5.281 0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.980 -5.054 -2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.468 -5.011 -3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.595 -5.256 -1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.508 -5.125 -2.790 1.00 0.00 H new ATOM 630 N SER A 43 4.541 -5.778 2.670 1.00 0.00 N ATOM 631 CA SER A 43 3.229 -6.390 2.850 1.00 0.00 C ATOM 632 C SER A 43 2.492 -5.860 4.077 1.00 0.00 C ATOM 633 O SER A 43 1.264 -5.840 4.096 1.00 0.00 O ATOM 634 CB SER A 43 3.376 -7.906 2.954 1.00 0.00 C ATOM 635 OG SER A 43 4.406 -8.378 2.101 1.00 0.00 O ATOM 0 H SER A 43 5.322 -6.427 2.761 1.00 0.00 H new ATOM 0 HA SER A 43 2.631 -6.126 1.977 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.597 -8.183 3.985 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.433 -8.385 2.690 1.00 0.00 H new ATOM 0 HG SER A 43 4.482 -9.351 2.187 1.00 0.00 H new ATOM 641 N GLU A 44 3.234 -5.432 5.094 1.00 0.00 N ATOM 642 CA GLU A 44 2.622 -4.930 6.319 1.00 0.00 C ATOM 643 C GLU A 44 2.001 -3.552 6.113 1.00 0.00 C ATOM 644 O GLU A 44 0.917 -3.276 6.624 1.00 0.00 O ATOM 645 CB GLU A 44 3.646 -4.881 7.451 1.00 0.00 C ATOM 646 CG GLU A 44 3.019 -4.945 8.833 1.00 0.00 C ATOM 647 CD GLU A 44 2.507 -6.329 9.175 1.00 0.00 C ATOM 648 OE1 GLU A 44 1.520 -6.778 8.556 1.00 0.00 O ATOM 649 OE2 GLU A 44 3.097 -6.984 10.060 1.00 0.00 O ATOM 0 H GLU A 44 4.254 -5.423 5.094 1.00 0.00 H new ATOM 0 HA GLU A 44 1.824 -5.621 6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.343 -5.711 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.228 -3.963 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.755 -4.640 9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.196 -4.233 8.888 1.00 0.00 H new ATOM 656 N LEU A 45 2.691 -2.698 5.365 1.00 0.00 N ATOM 657 CA LEU A 45 2.206 -1.349 5.084 1.00 0.00 C ATOM 658 C LEU A 45 0.808 -1.390 4.483 1.00 0.00 C ATOM 659 O LEU A 45 -0.107 -0.715 4.953 1.00 0.00 O ATOM 660 CB LEU A 45 3.154 -0.641 4.116 1.00 0.00 C ATOM 661 CG LEU A 45 4.107 0.374 4.747 1.00 0.00 C ATOM 662 CD1 LEU A 45 5.242 0.701 3.788 1.00 0.00 C ATOM 663 CD2 LEU A 45 3.357 1.639 5.138 1.00 0.00 C ATOM 0 H LEU A 45 3.592 -2.916 4.940 1.00 0.00 H new ATOM 0 HA LEU A 45 2.168 -0.800 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.746 -1.396 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.558 -0.131 3.360 1.00 0.00 H new ATOM 0 HG LEU A 45 4.532 -0.065 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.912 1.425 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.795 -0.209 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.833 1.121 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.051 2.350 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.905 2.083 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.577 1.392 5.858 1.00 0.00 H new ATOM 675 N VAL A 46 0.659 -2.177 3.433 1.00 0.00 N ATOM 676 CA VAL A 46 -0.620 -2.320 2.764 1.00 0.00 C ATOM 677 C VAL A 46 -1.590 -3.139 3.617 1.00 0.00 C ATOM 678 O VAL A 46 -2.788 -2.871 3.633 1.00 0.00 O ATOM 679 CB VAL A 46 -0.445 -2.965 1.363 1.00 0.00 C ATOM 680 CG1 VAL A 46 0.617 -4.048 1.383 1.00 0.00 C ATOM 681 CG2 VAL A 46 -1.755 -3.525 0.838 1.00 0.00 C ATOM 0 H VAL A 46 1.413 -2.729 3.024 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.041 -1.324 2.628 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.119 -2.174 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.715 -4.480 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.571 -3.617 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.329 -4.827 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.593 -3.968 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.126 -4.287 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.488 -2.722 0.758 1.00 0.00 H new ATOM 691 N ASN A 47 -1.048 -4.097 4.361 1.00 0.00 N ATOM 692 CA ASN A 47 -1.848 -4.985 5.211 1.00 0.00 C ATOM 693 C ASN A 47 -2.818 -4.219 6.112 1.00 0.00 C ATOM 694 O ASN A 47 -4.033 -4.405 6.014 1.00 0.00 O ATOM 695 CB ASN A 47 -0.934 -5.863 6.075 1.00 0.00 C ATOM 696 CG ASN A 47 -1.704 -6.853 6.934 1.00 0.00 C ATOM 697 OD1 ASN A 47 -2.802 -7.286 6.580 1.00 0.00 O ATOM 698 ND2 ASN A 47 -1.126 -7.226 8.063 1.00 0.00 N ATOM 0 H ASN A 47 -0.046 -4.283 4.395 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.441 -5.609 4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.246 -6.408 5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.329 -5.225 6.719 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.590 -7.896 8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.216 -6.844 8.320 1.00 0.00 H new ATOM 705 N TRP A 48 -2.297 -3.345 6.967 1.00 0.00 N ATOM 706 CA TRP A 48 -3.160 -2.598 7.879 1.00 0.00 C ATOM 707 C TRP A 48 -4.001 -1.563 7.133 1.00 0.00 C ATOM 708 O TRP A 48 -5.117 -1.251 7.548 1.00 0.00 O ATOM 709 CB TRP A 48 -2.350 -1.945 9.013 1.00 0.00 C ATOM 710 CG TRP A 48 -1.452 -0.820 8.588 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.124 -0.904 8.292 1.00 0.00 C ATOM 712 CD2 TRP A 48 -1.811 0.561 8.438 1.00 0.00 C ATOM 713 NE1 TRP A 48 0.365 0.334 7.959 1.00 0.00 N ATOM 714 CE2 TRP A 48 -0.652 1.250 8.041 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.002 1.280 8.602 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -0.651 2.621 7.798 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -2.997 2.641 8.361 1.00 0.00 C ATOM 718 CH2 TRP A 48 -1.827 3.299 7.964 1.00 0.00 C ATOM 0 H TRP A 48 -1.302 -3.138 7.049 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.846 -3.313 8.334 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.044 -1.571 9.765 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.743 -2.712 9.493 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.459 -1.813 8.316 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.328 0.539 7.694 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.908 0.780 8.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.249 3.132 7.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.910 3.206 8.481 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.854 4.364 7.785 1.00 0.00 H new ATOM 729 N TYR A 49 -3.469 -1.057 6.021 1.00 0.00 N ATOM 730 CA TYR A 49 -4.172 -0.063 5.212 1.00 0.00 C ATOM 731 C TYR A 49 -5.557 -0.561 4.836 1.00 0.00 C ATOM 732 O TYR A 49 -6.566 0.108 5.072 1.00 0.00 O ATOM 733 CB TYR A 49 -3.384 0.240 3.932 1.00 0.00 C ATOM 734 CG TYR A 49 -3.993 1.345 3.089 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.220 2.603 3.631 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.337 1.133 1.754 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.771 3.617 2.875 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.889 2.145 0.995 1.00 0.00 C ATOM 739 CZ TYR A 49 -5.104 3.384 1.560 1.00 0.00 C ATOM 740 OH TYR A 49 -5.654 4.394 0.808 1.00 0.00 O ATOM 0 H TYR A 49 -2.552 -1.320 5.660 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.265 0.846 5.806 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.365 0.519 4.200 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.318 -0.668 3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.961 2.791 4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.169 0.164 1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.940 4.589 3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.151 1.967 -0.037 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.462 4.066 0.360 1.00 0.00 H new ATOM 750 N LEU A 50 -5.591 -1.753 4.270 1.00 0.00 N ATOM 751 CA LEU A 50 -6.835 -2.356 3.836 1.00 0.00 C ATOM 752 C LEU A 50 -7.708 -2.729 5.016 1.00 0.00 C ATOM 753 O LEU A 50 -8.893 -2.439 5.020 1.00 0.00 O ATOM 754 CB LEU A 50 -6.561 -3.604 3.005 1.00 0.00 C ATOM 755 CG LEU A 50 -5.197 -3.635 2.333 1.00 0.00 C ATOM 756 CD1 LEU A 50 -4.730 -5.067 2.156 1.00 0.00 C ATOM 757 CD2 LEU A 50 -5.242 -2.903 1.000 1.00 0.00 C ATOM 0 H LEU A 50 -4.764 -2.325 4.100 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.360 -1.618 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.654 -4.479 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.331 -3.689 2.238 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.479 -3.121 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.752 -5.074 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.657 -5.549 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.444 -5.609 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.257 -2.935 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.969 -3.383 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.531 -1.865 1.164 1.00 0.00 H new ATOM 769 N LYS A 51 -7.110 -3.352 6.022 1.00 0.00 N ATOM 770 CA LYS A 51 -7.848 -3.796 7.204 1.00 0.00 C ATOM 771 C LYS A 51 -8.573 -2.645 7.898 1.00 0.00 C ATOM 772 O LYS A 51 -9.596 -2.851 8.554 1.00 0.00 O ATOM 773 CB LYS A 51 -6.903 -4.488 8.189 1.00 0.00 C ATOM 774 CG LYS A 51 -6.887 -6.006 8.060 1.00 0.00 C ATOM 775 CD LYS A 51 -6.374 -6.454 6.701 1.00 0.00 C ATOM 776 CE LYS A 51 -6.304 -7.970 6.601 1.00 0.00 C ATOM 777 NZ LYS A 51 -5.200 -8.535 7.425 1.00 0.00 N ATOM 0 H LYS A 51 -6.112 -3.564 6.046 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.605 -4.503 6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.893 -4.109 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.193 -4.222 9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.259 -6.430 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.894 -6.394 8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.027 -6.067 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.384 -6.031 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.253 -8.398 6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.162 -8.258 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.135 -9.560 7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.302 -8.084 7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.391 -8.356 8.431 1.00 0.00 H new ATOM 791 N GLU A 52 -8.042 -1.441 7.762 1.00 0.00 N ATOM 792 CA GLU A 52 -8.645 -0.271 8.386 1.00 0.00 C ATOM 793 C GLU A 52 -9.774 0.314 7.541 1.00 0.00 C ATOM 794 O GLU A 52 -10.848 0.629 8.058 1.00 0.00 O ATOM 795 CB GLU A 52 -7.582 0.799 8.645 1.00 0.00 C ATOM 796 CG GLU A 52 -6.617 0.432 9.761 1.00 0.00 C ATOM 797 CD GLU A 52 -7.333 0.029 11.032 1.00 0.00 C ATOM 798 OE1 GLU A 52 -7.993 0.892 11.642 1.00 0.00 O ATOM 799 OE2 GLU A 52 -7.241 -1.156 11.425 1.00 0.00 O ATOM 0 H GLU A 52 -7.196 -1.247 7.226 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.075 -0.596 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.018 0.970 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.075 1.738 8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.979 -0.388 9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.965 1.281 9.968 1.00 0.00 H new ATOM 806 N ILE A 53 -9.541 0.440 6.242 1.00 0.00 N ATOM 807 CA ILE A 53 -10.530 1.034 5.345 1.00 0.00 C ATOM 808 C ILE A 53 -11.512 0.015 4.770 1.00 0.00 C ATOM 809 O ILE A 53 -12.519 0.395 4.182 1.00 0.00 O ATOM 810 CB ILE A 53 -9.844 1.760 4.169 1.00 0.00 C ATOM 811 CG1 ILE A 53 -9.112 0.757 3.272 1.00 0.00 C ATOM 812 CG2 ILE A 53 -8.883 2.819 4.689 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.512 1.375 2.029 1.00 0.00 C ATOM 0 H ILE A 53 -8.680 0.141 5.784 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.090 1.740 5.959 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.610 2.255 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.319 0.280 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.808 -0.028 2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.407 3.323 3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.433 3.548 5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.120 2.346 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.011 0.603 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.302 1.828 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.790 2.140 2.315 1.00 0.00 H new ATOM 825 N GLU A 54 -11.242 -1.270 4.945 1.00 0.00 N ATOM 826 CA GLU A 54 -12.114 -2.303 4.387 1.00 0.00 C ATOM 827 C GLU A 54 -13.498 -2.291 5.024 1.00 0.00 C ATOM 828 O GLU A 54 -14.473 -2.725 4.410 1.00 0.00 O ATOM 829 CB GLU A 54 -11.479 -3.692 4.514 1.00 0.00 C ATOM 830 CG GLU A 54 -11.649 -4.347 5.874 1.00 0.00 C ATOM 831 CD GLU A 54 -11.684 -5.854 5.768 1.00 0.00 C ATOM 832 OE1 GLU A 54 -12.264 -6.363 4.785 1.00 0.00 O ATOM 833 OE2 GLU A 54 -11.131 -6.537 6.655 1.00 0.00 O ATOM 0 H GLU A 54 -10.437 -1.624 5.462 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.237 -2.073 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.911 -4.345 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.414 -3.611 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.830 -4.047 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.571 -3.993 6.336 1.00 0.00 H new ATOM 840 N SER A 55 -13.588 -1.789 6.244 1.00 0.00 N ATOM 841 CA SER A 55 -14.860 -1.728 6.945 1.00 0.00 C ATOM 842 C SER A 55 -15.753 -0.633 6.362 1.00 0.00 C ATOM 843 O SER A 55 -16.976 -0.703 6.467 1.00 0.00 O ATOM 844 CB SER A 55 -14.622 -1.478 8.434 1.00 0.00 C ATOM 845 OG SER A 55 -13.442 -2.136 8.881 1.00 0.00 O ATOM 0 H SER A 55 -12.796 -1.418 6.769 1.00 0.00 H new ATOM 0 HA SER A 55 -15.369 -2.684 6.819 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.537 -0.407 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.479 -1.832 9.007 1.00 0.00 H new ATOM 0 HG SER A 55 -13.311 -1.959 9.836 1.00 0.00 H new ATOM 851 N GLU A 56 -15.140 0.367 5.735 1.00 0.00 N ATOM 852 CA GLU A 56 -15.893 1.466 5.136 1.00 0.00 C ATOM 853 C GLU A 56 -15.988 1.274 3.627 1.00 0.00 C ATOM 854 O GLU A 56 -16.409 2.172 2.887 1.00 0.00 O ATOM 855 CB GLU A 56 -15.240 2.812 5.470 1.00 0.00 C ATOM 856 CG GLU A 56 -13.838 2.967 4.907 1.00 0.00 C ATOM 857 CD GLU A 56 -13.236 4.329 5.180 1.00 0.00 C ATOM 858 OE1 GLU A 56 -12.976 4.644 6.359 1.00 0.00 O ATOM 859 OE2 GLU A 56 -13.018 5.091 4.214 1.00 0.00 O ATOM 0 H GLU A 56 -14.128 0.440 5.628 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.901 1.466 5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.868 3.616 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.202 2.928 6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.194 2.199 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.864 2.797 3.831 1.00 0.00 H new ATOM 866 N ILE A 57 -15.580 0.094 3.182 1.00 0.00 N ATOM 867 CA ILE A 57 -15.618 -0.255 1.775 1.00 0.00 C ATOM 868 C ILE A 57 -17.018 -0.725 1.396 1.00 0.00 C ATOM 869 O ILE A 57 -17.453 -1.808 1.790 1.00 0.00 O ATOM 870 CB ILE A 57 -14.570 -1.343 1.447 1.00 0.00 C ATOM 871 CG1 ILE A 57 -13.156 -0.762 1.496 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.829 -1.974 0.097 1.00 0.00 C ATOM 873 CD1 ILE A 57 -12.972 0.492 0.666 1.00 0.00 C ATOM 0 H ILE A 57 -15.215 -0.643 3.785 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.372 0.631 1.190 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.658 -2.122 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.902 -0.539 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.452 -1.519 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -14.073 -2.734 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.817 -2.435 0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.784 -1.208 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.943 0.840 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.192 0.272 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.649 1.268 1.024 1.00 0.00 H new ATOM 885 N ASP A 58 -17.722 0.108 0.646 1.00 0.00 N ATOM 886 CA ASP A 58 -19.084 -0.205 0.221 1.00 0.00 C ATOM 887 C ASP A 58 -19.084 -1.111 -0.997 1.00 0.00 C ATOM 888 O ASP A 58 -20.072 -1.779 -1.282 1.00 0.00 O ATOM 889 CB ASP A 58 -19.863 1.075 -0.088 1.00 0.00 C ATOM 890 CG ASP A 58 -20.803 1.470 1.033 1.00 0.00 C ATOM 891 OD1 ASP A 58 -21.879 0.850 1.166 1.00 0.00 O ATOM 892 OD2 ASP A 58 -20.474 2.409 1.788 1.00 0.00 O ATOM 0 H ASP A 58 -17.375 1.009 0.317 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.572 -0.728 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.161 1.888 -0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.435 0.935 -1.005 1.00 0.00 H new ATOM 897 N SER A 59 -17.979 -1.123 -1.721 1.00 0.00 N ATOM 898 CA SER A 59 -17.850 -1.956 -2.895 1.00 0.00 C ATOM 899 C SER A 59 -16.487 -2.622 -2.877 1.00 0.00 C ATOM 900 O SER A 59 -15.480 -1.940 -2.721 1.00 0.00 O ATOM 901 CB SER A 59 -17.999 -1.109 -4.155 1.00 0.00 C ATOM 902 OG SER A 59 -18.564 0.158 -3.857 1.00 0.00 O ATOM 0 H SER A 59 -17.155 -0.560 -1.511 1.00 0.00 H new ATOM 0 HA SER A 59 -18.631 -2.716 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.024 -0.974 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.629 -1.631 -4.875 1.00 0.00 H new ATOM 0 HG SER A 59 -18.647 0.681 -4.681 1.00 0.00 H new ATOM 908 N GLU A 60 -16.446 -3.939 -3.053 1.00 0.00 N ATOM 909 CA GLU A 60 -15.184 -4.671 -3.026 1.00 0.00 C ATOM 910 C GLU A 60 -14.193 -4.058 -3.991 1.00 0.00 C ATOM 911 O GLU A 60 -13.012 -3.966 -3.698 1.00 0.00 O ATOM 912 CB GLU A 60 -15.390 -6.137 -3.384 1.00 0.00 C ATOM 913 CG GLU A 60 -15.862 -6.363 -4.802 1.00 0.00 C ATOM 914 CD GLU A 60 -17.358 -6.188 -4.944 1.00 0.00 C ATOM 915 OE1 GLU A 60 -18.030 -5.954 -3.919 1.00 0.00 O ATOM 916 OE2 GLU A 60 -17.870 -6.278 -6.076 1.00 0.00 O ATOM 0 H GLU A 60 -17.269 -4.520 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.791 -4.608 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.452 -6.672 -3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.117 -6.570 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.352 -5.666 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.584 -7.368 -5.119 1.00 0.00 H new ATOM 923 N GLU A 61 -14.701 -3.659 -5.144 1.00 0.00 N ATOM 924 CA GLU A 61 -13.894 -3.029 -6.184 1.00 0.00 C ATOM 925 C GLU A 61 -13.117 -1.839 -5.632 1.00 0.00 C ATOM 926 O GLU A 61 -11.984 -1.593 -6.036 1.00 0.00 O ATOM 927 CB GLU A 61 -14.768 -2.597 -7.358 1.00 0.00 C ATOM 928 CG GLU A 61 -15.075 -3.733 -8.324 1.00 0.00 C ATOM 929 CD GLU A 61 -16.169 -3.384 -9.305 1.00 0.00 C ATOM 930 OE1 GLU A 61 -17.249 -2.947 -8.858 1.00 0.00 O ATOM 931 OE2 GLU A 61 -15.962 -3.559 -10.524 1.00 0.00 O ATOM 0 H GLU A 61 -15.686 -3.761 -5.390 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.175 -3.767 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.704 -2.190 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.268 -1.793 -7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.170 -3.992 -8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.369 -4.617 -7.758 1.00 0.00 H new ATOM 938 N GLU A 62 -13.722 -1.116 -4.694 1.00 0.00 N ATOM 939 CA GLU A 62 -13.060 0.017 -4.062 1.00 0.00 C ATOM 940 C GLU A 62 -11.841 -0.485 -3.308 1.00 0.00 C ATOM 941 O GLU A 62 -10.768 0.117 -3.347 1.00 0.00 O ATOM 942 CB GLU A 62 -14.007 0.719 -3.089 1.00 0.00 C ATOM 943 CG GLU A 62 -15.094 1.525 -3.771 1.00 0.00 C ATOM 944 CD GLU A 62 -14.566 2.813 -4.360 1.00 0.00 C ATOM 945 OE1 GLU A 62 -14.033 2.787 -5.488 1.00 0.00 O ATOM 946 OE2 GLU A 62 -14.665 3.860 -3.688 1.00 0.00 O ATOM 0 H GLU A 62 -14.668 -1.295 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.762 0.730 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.471 -0.028 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.427 1.380 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.547 0.925 -4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.881 1.752 -3.052 1.00 0.00 H new ATOM 953 N LEU A 63 -12.030 -1.610 -2.633 1.00 0.00 N ATOM 954 CA LEU A 63 -10.973 -2.242 -1.868 1.00 0.00 C ATOM 955 C LEU A 63 -9.975 -2.910 -2.806 1.00 0.00 C ATOM 956 O LEU A 63 -8.777 -2.925 -2.527 1.00 0.00 O ATOM 957 CB LEU A 63 -11.556 -3.261 -0.889 1.00 0.00 C ATOM 958 CG LEU A 63 -10.573 -3.791 0.158 1.00 0.00 C ATOM 959 CD1 LEU A 63 -9.950 -2.644 0.941 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.274 -4.758 1.097 1.00 0.00 C ATOM 0 H LEU A 63 -12.920 -2.107 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.452 -1.477 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.401 -2.804 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.948 -4.105 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.774 -4.324 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.255 -3.043 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.415 -1.985 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.734 -2.081 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.563 -5.127 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.091 -4.245 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.671 -5.597 0.525 1.00 0.00 H new ATOM 972 N ILE A 64 -10.475 -3.483 -3.901 1.00 0.00 N ATOM 973 CA ILE A 64 -9.617 -4.116 -4.892 1.00 0.00 C ATOM 974 C ILE A 64 -8.693 -3.079 -5.511 1.00 0.00 C ATOM 975 O ILE A 64 -7.478 -3.271 -5.573 1.00 0.00 O ATOM 976 CB ILE A 64 -10.448 -4.807 -5.993 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.144 -6.031 -5.409 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.570 -5.202 -7.171 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.521 -6.293 -5.973 1.00 0.00 C ATOM 0 H ILE A 64 -11.470 -3.520 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.023 -4.880 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.199 -4.107 -6.360 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.520 -6.907 -5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.224 -5.908 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.180 -5.687 -7.933 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.104 -4.311 -7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.796 -5.891 -6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.944 -7.181 -5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.165 -5.436 -5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.449 -6.451 -7.049 1.00 0.00 H new ATOM 991 N ASN A 65 -9.281 -1.973 -5.941 1.00 0.00 N ATOM 992 CA ASN A 65 -8.528 -0.883 -6.537 1.00 0.00 C ATOM 993 C ASN A 65 -7.523 -0.327 -5.537 1.00 0.00 C ATOM 994 O ASN A 65 -6.339 -0.201 -5.840 1.00 0.00 O ATOM 995 CB ASN A 65 -9.476 0.225 -7.005 1.00 0.00 C ATOM 996 CG ASN A 65 -8.761 1.548 -7.188 1.00 0.00 C ATOM 997 OD1 ASN A 65 -8.144 1.794 -8.223 1.00 0.00 O ATOM 998 ND2 ASN A 65 -8.854 2.412 -6.189 1.00 0.00 N ATOM 0 H ASN A 65 -10.286 -1.807 -5.887 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.986 -1.267 -7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.940 -0.069 -7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.279 0.345 -6.278 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.403 3.324 -6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.376 2.165 -5.348 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.008 -0.015 -4.334 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.161 0.521 -3.273 1.00 0.00 C ATOM 1007 C LYS A 66 -5.997 -0.422 -3.000 1.00 0.00 C ATOM 1008 O LYS A 66 -4.863 0.009 -2.807 1.00 0.00 O ATOM 1009 CB LYS A 66 -7.979 0.718 -1.994 1.00 0.00 C ATOM 1010 CG LYS A 66 -7.790 2.081 -1.344 1.00 0.00 C ATOM 1011 CD LYS A 66 -8.639 3.154 -2.014 1.00 0.00 C ATOM 1012 CE LYS A 66 -10.120 2.945 -1.724 1.00 0.00 C ATOM 1013 NZ LYS A 66 -10.986 3.899 -2.470 1.00 0.00 N ATOM 0 H LYS A 66 -8.987 -0.126 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.768 1.485 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.035 0.580 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.706 -0.056 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.052 2.019 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.739 2.365 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.332 4.138 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.470 3.135 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.398 1.924 -1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.297 3.058 -0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.983 3.716 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.741 4.873 -2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.839 3.775 -3.492 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.300 -1.714 -3.014 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.310 -2.754 -2.774 1.00 0.00 C ATOM 1029 C LYS A 67 -4.250 -2.770 -3.861 1.00 0.00 C ATOM 1030 O LYS A 67 -3.056 -2.794 -3.574 1.00 0.00 O ATOM 1031 CB LYS A 67 -6.001 -4.113 -2.727 1.00 0.00 C ATOM 1032 CG LYS A 67 -5.058 -5.288 -2.530 1.00 0.00 C ATOM 1033 CD LYS A 67 -5.095 -5.807 -1.101 1.00 0.00 C ATOM 1034 CE LYS A 67 -6.495 -6.245 -0.690 1.00 0.00 C ATOM 1035 NZ LYS A 67 -7.293 -5.132 -0.108 1.00 0.00 N ATOM 0 H LYS A 67 -7.239 -2.069 -3.192 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.823 -2.544 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.731 -4.108 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.555 -4.258 -3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.329 -6.091 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.042 -4.985 -2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.408 -6.648 -1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.745 -5.029 -0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.017 -6.646 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.420 -7.053 0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.845 -5.486 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.654 -4.378 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.939 -4.754 -0.830 1.00 0.00 H new ATOM 1049 N ARG A 68 -4.694 -2.765 -5.109 1.00 0.00 N ATOM 1050 CA ARG A 68 -3.778 -2.797 -6.231 1.00 0.00 C ATOM 1051 C ARG A 68 -2.889 -1.562 -6.250 1.00 0.00 C ATOM 1052 O ARG A 68 -1.696 -1.666 -6.511 1.00 0.00 O ATOM 1053 CB ARG A 68 -4.539 -2.926 -7.550 1.00 0.00 C ATOM 1054 CG ARG A 68 -3.649 -3.326 -8.718 1.00 0.00 C ATOM 1055 CD ARG A 68 -2.858 -4.592 -8.416 1.00 0.00 C ATOM 1056 NE ARG A 68 -3.700 -5.786 -8.437 1.00 0.00 N ATOM 1057 CZ ARG A 68 -3.352 -6.955 -7.894 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -2.211 -7.072 -7.224 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -4.156 -8.004 -8.008 1.00 0.00 N ATOM 0 H ARG A 68 -5.681 -2.739 -5.366 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.140 -3.673 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.331 -3.666 -7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.022 -1.976 -7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.262 -3.483 -9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.960 -2.512 -8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.057 -4.701 -9.147 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.386 -4.499 -7.438 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.609 -5.723 -8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.595 -6.266 -7.122 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.951 -7.968 -6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.039 -7.917 -8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.891 -8.897 -7.593 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.461 -0.400 -5.953 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.690 0.837 -5.946 1.00 0.00 C ATOM 1075 C ILE A 69 -1.631 0.824 -4.848 1.00 0.00 C ATOM 1076 O ILE A 69 -0.454 1.045 -5.120 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.575 2.085 -5.760 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.616 2.182 -6.874 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.716 3.345 -5.730 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -5.450 3.441 -6.800 1.00 0.00 C ATOM 0 H ILE A 69 -4.447 -0.289 -5.716 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.211 0.892 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.098 1.993 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.111 2.144 -7.839 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.274 1.314 -6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.355 4.218 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.010 3.284 -4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.169 3.435 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.170 3.449 -7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.982 3.470 -5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.801 4.313 -6.879 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.051 0.554 -3.613 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.126 0.537 -2.482 1.00 0.00 C ATOM 1094 C ILE A 70 -0.028 -0.516 -2.679 1.00 0.00 C ATOM 1095 O ILE A 70 1.125 -0.290 -2.322 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.863 0.327 -1.133 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.893 0.457 0.043 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.574 -1.013 -1.092 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.328 1.851 0.204 1.00 0.00 C ATOM 0 H ILE A 70 -3.020 0.345 -3.371 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.651 1.517 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.618 1.108 -1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.407 0.173 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.072 -0.246 -0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.080 -1.127 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.307 -1.061 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.846 -1.815 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.352 1.872 1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.214 2.131 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.142 2.556 0.372 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.381 -1.653 -3.259 1.00 0.00 N ATOM 1112 CA GLU A 71 0.591 -2.701 -3.524 1.00 0.00 C ATOM 1113 C GLU A 71 1.557 -2.246 -4.620 1.00 0.00 C ATOM 1114 O GLU A 71 2.780 -2.363 -4.488 1.00 0.00 O ATOM 1115 CB GLU A 71 -0.130 -3.989 -3.938 1.00 0.00 C ATOM 1116 CG GLU A 71 0.803 -5.127 -4.300 1.00 0.00 C ATOM 1117 CD GLU A 71 0.931 -5.332 -5.798 1.00 0.00 C ATOM 1118 OE1 GLU A 71 -0.091 -5.604 -6.460 1.00 0.00 O ATOM 1119 OE2 GLU A 71 2.062 -5.229 -6.318 1.00 0.00 O ATOM 0 H GLU A 71 -1.332 -1.873 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 71 1.163 -2.902 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.778 -4.309 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.774 -3.775 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.789 -4.929 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.440 -6.047 -3.842 1.00 0.00 H new ATOM 1126 N LYS A 72 0.983 -1.712 -5.691 1.00 0.00 N ATOM 1127 CA LYS A 72 1.744 -1.221 -6.838 1.00 0.00 C ATOM 1128 C LYS A 72 2.706 -0.098 -6.466 1.00 0.00 C ATOM 1129 O LYS A 72 3.862 -0.122 -6.875 1.00 0.00 O ATOM 1130 CB LYS A 72 0.802 -0.721 -7.932 1.00 0.00 C ATOM 1131 CG LYS A 72 0.385 -1.785 -8.934 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.550 -1.212 -9.984 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.744 -2.177 -11.140 1.00 0.00 C ATOM 1134 NZ LYS A 72 -1.522 -1.561 -12.246 1.00 0.00 N ATOM 0 H LYS A 72 -0.027 -1.606 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 72 2.331 -2.065 -7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.092 -0.309 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.287 0.095 -8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.269 -2.200 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.108 -2.606 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.515 -0.987 -9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.147 -0.271 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.229 -2.497 -11.514 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.259 -3.070 -10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.634 -2.250 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.459 -1.278 -11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.018 -0.723 -12.601 1.00 0.00 H new ATOM 1148 N VAL A 73 2.236 0.889 -5.704 1.00 0.00 N ATOM 1149 CA VAL A 73 3.089 2.016 -5.325 1.00 0.00 C ATOM 1150 C VAL A 73 4.324 1.550 -4.552 1.00 0.00 C ATOM 1151 O VAL A 73 5.412 2.093 -4.731 1.00 0.00 O ATOM 1152 CB VAL A 73 2.333 3.106 -4.522 1.00 0.00 C ATOM 1153 CG1 VAL A 73 1.192 3.688 -5.346 1.00 0.00 C ATOM 1154 CG2 VAL A 73 1.819 2.570 -3.196 1.00 0.00 C ATOM 0 H VAL A 73 1.284 0.933 -5.341 1.00 0.00 H new ATOM 0 HA VAL A 73 3.411 2.472 -6.261 1.00 0.00 H new ATOM 0 HB VAL A 73 3.043 3.903 -4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.675 4.451 -4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.592 4.135 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.492 2.895 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.295 3.362 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.135 1.742 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.658 2.221 -2.595 1.00 0.00 H new ATOM 1164 N ILE A 74 4.164 0.528 -3.715 1.00 0.00 N ATOM 1165 CA ILE A 74 5.285 -0.010 -2.954 1.00 0.00 C ATOM 1166 C ILE A 74 6.234 -0.739 -3.903 1.00 0.00 C ATOM 1167 O ILE A 74 7.457 -0.615 -3.803 1.00 0.00 O ATOM 1168 CB ILE A 74 4.811 -0.975 -1.842 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.907 -0.243 -0.847 1.00 0.00 C ATOM 1170 CG2 ILE A 74 6.001 -1.588 -1.115 1.00 0.00 C ATOM 1171 CD1 ILE A 74 3.129 -1.171 0.063 1.00 0.00 C ATOM 0 H ILE A 74 3.274 0.059 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 74 5.800 0.821 -2.472 1.00 0.00 H new ATOM 0 HB ILE A 74 4.241 -1.777 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.517 0.423 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.206 0.383 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.644 -2.263 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.614 -2.144 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.598 -0.796 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.511 -0.582 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.492 -1.820 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.824 -1.779 0.642 1.00 0.00 H new ATOM 1183 N HIS A 75 5.647 -1.479 -4.843 1.00 0.00 N ATOM 1184 CA HIS A 75 6.405 -2.232 -5.841 1.00 0.00 C ATOM 1185 C HIS A 75 7.169 -1.275 -6.761 1.00 0.00 C ATOM 1186 O HIS A 75 8.313 -1.530 -7.139 1.00 0.00 O ATOM 1187 CB HIS A 75 5.440 -3.124 -6.648 1.00 0.00 C ATOM 1188 CG HIS A 75 6.000 -3.675 -7.922 1.00 0.00 C ATOM 1189 ND1 HIS A 75 6.880 -4.732 -7.965 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.782 -3.319 -9.210 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.180 -5.002 -9.220 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.527 -4.160 -9.996 1.00 0.00 N ATOM 0 H HIS A 75 4.635 -1.573 -4.934 1.00 0.00 H new ATOM 0 HA HIS A 75 7.136 -2.868 -5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.126 -3.956 -6.018 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.546 -2.546 -6.882 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.141 -2.521 -9.554 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.848 -5.781 -9.556 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.569 -4.138 -11.015 1.00 0.00 H new ATOM 1201 N ARG A 76 6.521 -0.175 -7.116 1.00 0.00 N ATOM 1202 CA ARG A 76 7.122 0.833 -7.978 1.00 0.00 C ATOM 1203 C ARG A 76 8.239 1.564 -7.239 1.00 0.00 C ATOM 1204 O ARG A 76 9.303 1.826 -7.796 1.00 0.00 O ATOM 1205 CB ARG A 76 6.052 1.827 -8.443 1.00 0.00 C ATOM 1206 CG ARG A 76 6.522 2.770 -9.540 1.00 0.00 C ATOM 1207 CD ARG A 76 5.454 3.790 -9.894 1.00 0.00 C ATOM 1208 NE ARG A 76 5.275 4.787 -8.839 1.00 0.00 N ATOM 1209 CZ ARG A 76 4.196 5.559 -8.710 1.00 0.00 C ATOM 1210 NH1 ARG A 76 3.179 5.430 -9.559 1.00 0.00 N ATOM 1211 NH2 ARG A 76 4.148 6.468 -7.741 1.00 0.00 N ATOM 0 H ARG A 76 5.570 0.043 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 76 7.550 0.341 -8.851 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.185 1.272 -8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.721 2.416 -7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.426 3.286 -9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.785 2.195 -10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.725 4.291 -10.823 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.509 3.278 -10.072 1.00 0.00 H new ATOM 0 HE ARG A 76 6.025 4.899 -8.157 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.225 4.740 -10.309 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.354 6.021 -9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.935 6.572 -7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.324 7.061 -7.638 1.00 0.00 H new ATOM 1225 N LEU A 77 7.993 1.862 -5.975 1.00 0.00 N ATOM 1226 CA LEU A 77 8.950 2.563 -5.129 1.00 0.00 C ATOM 1227 C LEU A 77 10.235 1.755 -4.926 1.00 0.00 C ATOM 1228 O LEU A 77 11.341 2.293 -5.015 1.00 0.00 O ATOM 1229 CB LEU A 77 8.292 2.864 -3.779 1.00 0.00 C ATOM 1230 CG LEU A 77 9.239 3.098 -2.603 1.00 0.00 C ATOM 1231 CD1 LEU A 77 9.913 4.454 -2.715 1.00 0.00 C ATOM 1232 CD2 LEU A 77 8.478 2.984 -1.291 1.00 0.00 C ATOM 0 H LEU A 77 7.121 1.625 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 77 9.233 3.492 -5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.664 3.747 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.632 2.034 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 77 10.016 2.334 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.582 4.599 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.485 4.500 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.156 5.238 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.161 3.152 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.684 3.730 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.043 1.988 -1.208 1.00 0.00 H new ATOM 1244 N THR A 78 10.087 0.461 -4.696 1.00 0.00 N ATOM 1245 CA THR A 78 11.231 -0.405 -4.444 1.00 0.00 C ATOM 1246 C THR A 78 11.898 -0.908 -5.730 1.00 0.00 C ATOM 1247 O THR A 78 12.838 -1.700 -5.671 1.00 0.00 O ATOM 1248 CB THR A 78 10.811 -1.615 -3.590 1.00 0.00 C ATOM 1249 OG1 THR A 78 9.610 -2.187 -4.123 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.584 -1.209 -2.143 1.00 0.00 C ATOM 0 H THR A 78 9.185 -0.015 -4.678 1.00 0.00 H new ATOM 0 HA THR A 78 11.961 0.203 -3.909 1.00 0.00 H new ATOM 0 HB THR A 78 11.615 -2.351 -3.618 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.834 -1.701 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.288 -2.083 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.505 -0.795 -1.733 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.796 -0.458 -2.095 1.00 0.00 H new ATOM 1258 N HIS A 79 11.434 -0.451 -6.888 1.00 0.00 N ATOM 1259 CA HIS A 79 12.020 -0.904 -8.145 1.00 0.00 C ATOM 1260 C HIS A 79 12.281 0.252 -9.108 1.00 0.00 C ATOM 1261 O HIS A 79 13.420 0.497 -9.490 1.00 0.00 O ATOM 1262 CB HIS A 79 11.113 -1.939 -8.812 1.00 0.00 C ATOM 1263 CG HIS A 79 11.857 -2.956 -9.618 1.00 0.00 C ATOM 1264 ND1 HIS A 79 12.288 -2.730 -10.907 1.00 0.00 N ATOM 1265 CD2 HIS A 79 12.255 -4.212 -9.306 1.00 0.00 C ATOM 1266 CE1 HIS A 79 12.915 -3.802 -11.352 1.00 0.00 C ATOM 1267 NE2 HIS A 79 12.910 -4.717 -10.401 1.00 0.00 N ATOM 0 H HIS A 79 10.670 0.218 -6.984 1.00 0.00 H new ATOM 0 HA HIS A 79 12.981 -1.360 -7.906 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.533 -2.450 -8.044 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.402 -1.424 -9.459 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.088 -4.722 -8.369 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.358 -3.912 -12.331 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.325 -5.646 -10.469 1.00 0.00 H new ATOM 1276 N TYR A 80 11.226 0.957 -9.486 1.00 0.00 N ATOM 1277 CA TYR A 80 11.337 2.070 -10.427 1.00 0.00 C ATOM 1278 C TYR A 80 11.937 3.307 -9.769 1.00 0.00 C ATOM 1279 O TYR A 80 12.928 3.856 -10.249 1.00 0.00 O ATOM 1280 CB TYR A 80 9.962 2.411 -11.010 1.00 0.00 C ATOM 1281 CG TYR A 80 9.315 1.280 -11.778 1.00 0.00 C ATOM 1282 CD1 TYR A 80 8.589 0.289 -11.126 1.00 0.00 C ATOM 1283 CD2 TYR A 80 9.434 1.203 -13.159 1.00 0.00 C ATOM 1284 CE1 TYR A 80 8.001 -0.742 -11.830 1.00 0.00 C ATOM 1285 CE2 TYR A 80 8.847 0.176 -13.868 1.00 0.00 C ATOM 1286 CZ TYR A 80 8.134 -0.795 -13.200 1.00 0.00 C ATOM 1287 OH TYR A 80 7.552 -1.822 -13.904 1.00 0.00 O ATOM 0 H TYR A 80 10.277 0.780 -9.156 1.00 0.00 H new ATOM 0 HA TYR A 80 12.006 1.756 -11.228 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.299 2.709 -10.197 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.064 3.272 -11.671 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.484 0.327 -10.052 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.995 1.960 -13.687 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.439 -1.504 -11.309 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.946 0.133 -14.943 1.00 0.00 H new ATOM 0 HH TYR A 80 7.740 -1.711 -14.859 1.00 0.00 H new ATOM 1297 N ASP A 81 11.331 3.743 -8.672 1.00 0.00 N ATOM 1298 CA ASP A 81 11.804 4.927 -7.957 1.00 0.00 C ATOM 1299 C ASP A 81 13.208 4.708 -7.415 1.00 0.00 C ATOM 1300 O ASP A 81 14.091 5.543 -7.607 1.00 0.00 O ATOM 1301 CB ASP A 81 10.855 5.289 -6.812 1.00 0.00 C ATOM 1302 CG ASP A 81 9.752 6.233 -7.252 1.00 0.00 C ATOM 1303 OD1 ASP A 81 9.972 7.000 -8.215 1.00 0.00 O ATOM 1304 OD2 ASP A 81 8.665 6.210 -6.639 1.00 0.00 O ATOM 0 H ASP A 81 10.513 3.298 -8.257 1.00 0.00 H new ATOM 0 HA ASP A 81 11.828 5.754 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.411 4.378 -6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.424 5.750 -6.004 1.00 0.00 H new ATOM 1309 N HIS A 82 13.394 3.585 -6.720 1.00 0.00 N ATOM 1310 CA HIS A 82 14.690 3.217 -6.146 1.00 0.00 C ATOM 1311 C HIS A 82 15.120 4.187 -5.050 1.00 0.00 C ATOM 1312 O HIS A 82 16.288 4.223 -4.668 1.00 0.00 O ATOM 1313 CB HIS A 82 15.772 3.134 -7.232 1.00 0.00 C ATOM 1314 CG HIS A 82 15.994 1.745 -7.748 1.00 0.00 C ATOM 1315 ND1 HIS A 82 16.372 1.468 -9.043 1.00 0.00 N ATOM 1316 CD2 HIS A 82 15.884 0.544 -7.130 1.00 0.00 C ATOM 1317 CE1 HIS A 82 16.484 0.162 -9.198 1.00 0.00 C ATOM 1318 NE2 HIS A 82 16.193 -0.425 -8.054 1.00 0.00 N ATOM 0 H HIS A 82 12.654 2.907 -6.539 1.00 0.00 H new ATOM 0 HA HIS A 82 14.570 2.232 -5.696 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.492 3.782 -8.063 1.00 0.00 H new ATOM 0 HB3 HIS A 82 16.710 3.518 -6.830 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.605 0.379 -6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 82 16.767 -0.342 -10.110 1.00 0.00 H new ATOM 0 HE2 HIS A 82 16.197 -1.431 -7.883 1.00 0.00 H new ATOM 1327 N VAL A 83 14.171 4.952 -4.529 1.00 0.00 N ATOM 1328 CA VAL A 83 14.461 5.907 -3.468 1.00 0.00 C ATOM 1329 C VAL A 83 14.245 5.239 -2.103 1.00 0.00 C ATOM 1330 O VAL A 83 14.091 5.892 -1.067 1.00 0.00 O ATOM 1331 CB VAL A 83 13.603 7.189 -3.621 1.00 0.00 C ATOM 1332 CG1 VAL A 83 12.151 6.944 -3.249 1.00 0.00 C ATOM 1333 CG2 VAL A 83 14.185 8.334 -2.807 1.00 0.00 C ATOM 0 H VAL A 83 13.195 4.930 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 83 15.504 6.215 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 83 13.627 7.471 -4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.584 7.867 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.734 6.174 -3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.092 6.615 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.564 9.221 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 83 14.212 8.055 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 83 15.197 8.548 -3.151 1.00 0.00 H new ATOM 1343 N LEU A 84 14.252 3.914 -2.131 1.00 0.00 N ATOM 1344 CA LEU A 84 14.076 3.100 -0.943 1.00 0.00 C ATOM 1345 C LEU A 84 15.443 2.732 -0.378 1.00 0.00 C ATOM 1346 O LEU A 84 16.283 2.178 -1.088 1.00 0.00 O ATOM 1347 CB LEU A 84 13.284 1.833 -1.299 1.00 0.00 C ATOM 1348 CG LEU A 84 12.396 1.256 -0.191 1.00 0.00 C ATOM 1349 CD1 LEU A 84 13.233 0.587 0.882 1.00 0.00 C ATOM 1350 CD2 LEU A 84 11.517 2.337 0.413 1.00 0.00 C ATOM 0 H LEU A 84 14.381 3.373 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 84 13.520 3.659 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.655 2.053 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 84 13.991 1.063 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 84 11.750 0.500 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.579 0.186 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.811 -0.224 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 84 13.911 1.318 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.895 1.905 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.144 3.121 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.880 2.763 -0.362 1.00 0.00 H new ATOM 1362 N ILE A 85 15.662 3.044 0.888 1.00 0.00 N ATOM 1363 CA ILE A 85 16.928 2.754 1.542 1.00 0.00 C ATOM 1364 C ILE A 85 16.899 1.346 2.124 1.00 0.00 C ATOM 1365 O ILE A 85 15.924 0.953 2.766 1.00 0.00 O ATOM 1366 CB ILE A 85 17.224 3.775 2.664 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.890 5.194 2.190 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.684 3.688 3.095 1.00 0.00 C ATOM 1369 CD1 ILE A 85 16.704 6.188 3.317 1.00 0.00 C ATOM 0 H ILE A 85 14.975 3.501 1.487 1.00 0.00 H new ATOM 0 HA ILE A 85 17.719 2.827 0.796 1.00 0.00 H new ATOM 0 HB ILE A 85 16.598 3.537 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.688 5.546 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.979 5.162 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.874 4.414 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.895 2.685 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 85 19.328 3.903 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.470 7.169 2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.886 5.861 3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 85 17.622 6.251 3.902 1.00 0.00 H new ATOM 1381 N GLU A 86 17.958 0.589 1.888 1.00 0.00 N ATOM 1382 CA GLU A 86 18.041 -0.784 2.374 1.00 0.00 C ATOM 1383 C GLU A 86 19.403 -1.064 2.990 1.00 0.00 C ATOM 1384 O GLU A 86 20.418 -0.515 2.567 1.00 0.00 O ATOM 1385 CB GLU A 86 17.782 -1.762 1.225 1.00 0.00 C ATOM 1386 CG GLU A 86 18.574 -1.441 -0.033 1.00 0.00 C ATOM 1387 CD GLU A 86 18.293 -2.400 -1.169 1.00 0.00 C ATOM 1388 OE1 GLU A 86 17.350 -2.150 -1.948 1.00 0.00 O ATOM 1389 OE2 GLU A 86 19.020 -3.410 -1.293 1.00 0.00 O ATOM 0 H GLU A 86 18.775 0.900 1.362 1.00 0.00 H new ATOM 0 HA GLU A 86 17.281 -0.918 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.030 -2.771 1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.718 -1.757 0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.339 -0.426 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.639 -1.463 0.199 1.00 0.00 H new ATOM 1672 N TYR A 107 16.237 -4.591 6.368 1.00 0.00 N ATOM 1673 CA TYR A 107 15.444 -3.459 6.822 1.00 0.00 C ATOM 1674 C TYR A 107 15.235 -2.480 5.676 1.00 0.00 C ATOM 1675 O TYR A 107 16.195 -2.063 5.023 1.00 0.00 O ATOM 1676 CB TYR A 107 16.127 -2.763 8.002 1.00 0.00 C ATOM 1677 CG TYR A 107 16.538 -3.712 9.107 1.00 0.00 C ATOM 1678 CD1 TYR A 107 15.586 -4.399 9.853 1.00 0.00 C ATOM 1679 CD2 TYR A 107 17.879 -3.919 9.408 1.00 0.00 C ATOM 1680 CE1 TYR A 107 15.959 -5.270 10.859 1.00 0.00 C ATOM 1681 CE2 TYR A 107 18.259 -4.790 10.413 1.00 0.00 C ATOM 1682 CZ TYR A 107 17.296 -5.460 11.138 1.00 0.00 C ATOM 1683 OH TYR A 107 17.671 -6.332 12.138 1.00 0.00 O ATOM 0 HA TYR A 107 14.473 -3.823 7.157 1.00 0.00 H new ATOM 0 HB2 TYR A 107 17.009 -2.235 7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 107 15.451 -2.012 8.411 1.00 0.00 H new ATOM 0 HD1 TYR A 107 14.537 -4.249 9.642 1.00 0.00 H new ATOM 0 HD2 TYR A 107 18.637 -3.391 8.848 1.00 0.00 H new ATOM 0 HE1 TYR A 107 15.206 -5.800 11.424 1.00 0.00 H new ATOM 0 HE2 TYR A 107 19.306 -4.945 10.629 1.00 0.00 H new ATOM 0 HH TYR A 107 18.648 -6.351 12.206 1.00 0.00 H new ATOM 1693 N LEU A 108 13.981 -2.140 5.422 1.00 0.00 N ATOM 1694 CA LEU A 108 13.641 -1.219 4.349 1.00 0.00 C ATOM 1695 C LEU A 108 13.114 0.089 4.909 1.00 0.00 C ATOM 1696 O LEU A 108 12.228 0.094 5.761 1.00 0.00 O ATOM 1697 CB LEU A 108 12.590 -1.839 3.430 1.00 0.00 C ATOM 1698 CG LEU A 108 13.057 -3.052 2.628 1.00 0.00 C ATOM 1699 CD1 LEU A 108 11.958 -3.517 1.687 1.00 0.00 C ATOM 1700 CD2 LEU A 108 14.322 -2.720 1.851 1.00 0.00 C ATOM 0 H LEU A 108 13.179 -2.490 5.947 1.00 0.00 H new ATOM 0 HA LEU A 108 14.547 -1.019 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.731 -2.132 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.244 -1.075 2.734 1.00 0.00 H new ATOM 0 HG LEU A 108 13.283 -3.862 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.305 -4.382 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.076 -3.791 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 108 11.704 -2.712 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.641 -3.595 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.122 -1.897 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.110 -2.430 2.546 1.00 0.00 H new ATOM 1712 N VAL A 109 13.652 1.193 4.425 1.00 0.00 N ATOM 1713 CA VAL A 109 13.233 2.507 4.880 1.00 0.00 C ATOM 1714 C VAL A 109 13.033 3.433 3.688 1.00 0.00 C ATOM 1715 O VAL A 109 13.819 3.421 2.747 1.00 0.00 O ATOM 1716 CB VAL A 109 14.257 3.109 5.884 1.00 0.00 C ATOM 1717 CG1 VAL A 109 15.679 2.694 5.534 1.00 0.00 C ATOM 1718 CG2 VAL A 109 14.151 4.628 5.959 1.00 0.00 C ATOM 0 H VAL A 109 14.383 1.206 3.714 1.00 0.00 H new ATOM 0 HA VAL A 109 12.283 2.402 5.405 1.00 0.00 H new ATOM 0 HB VAL A 109 14.011 2.708 6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.373 3.130 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 109 15.759 1.607 5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.925 3.047 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.883 5.009 6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.345 5.055 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.149 4.907 6.284 1.00 0.00 H new ATOM 1728 N VAL A 110 11.978 4.231 3.722 1.00 0.00 N ATOM 1729 CA VAL A 110 11.696 5.142 2.628 1.00 0.00 C ATOM 1730 C VAL A 110 12.122 6.560 2.985 1.00 0.00 C ATOM 1731 O VAL A 110 12.057 6.964 4.149 1.00 0.00 O ATOM 1732 CB VAL A 110 10.195 5.108 2.247 1.00 0.00 C ATOM 1733 CG1 VAL A 110 9.328 5.714 3.342 1.00 0.00 C ATOM 1734 CG2 VAL A 110 9.952 5.808 0.917 1.00 0.00 C ATOM 0 H VAL A 110 11.308 4.266 4.490 1.00 0.00 H new ATOM 0 HA VAL A 110 12.273 4.814 1.763 1.00 0.00 H new ATOM 0 HB VAL A 110 9.910 4.062 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.281 5.674 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.462 5.151 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.619 6.752 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.890 5.769 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.270 6.848 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.522 5.309 0.134 1.00 0.00 H new ATOM 1744 N ASN A 111 12.597 7.296 1.988 1.00 0.00 N ATOM 1745 CA ASN A 111 13.023 8.670 2.191 1.00 0.00 C ATOM 1746 C ASN A 111 11.828 9.521 2.601 1.00 0.00 C ATOM 1747 O ASN A 111 10.784 9.482 1.946 1.00 0.00 O ATOM 1748 CB ASN A 111 13.642 9.235 0.910 1.00 0.00 C ATOM 1749 CG ASN A 111 14.484 10.469 1.162 1.00 0.00 C ATOM 1750 OD1 ASN A 111 15.151 10.581 2.187 1.00 0.00 O ATOM 1751 ND2 ASN A 111 14.472 11.399 0.224 1.00 0.00 N ATOM 0 H ASN A 111 12.696 6.961 1.030 1.00 0.00 H new ATOM 0 HA ASN A 111 13.774 8.690 2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.259 8.469 0.441 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.848 9.480 0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.030 12.245 0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 111 13.905 11.271 -0.614 1.00 0.00 H new ATOM 1758 N PRO A 112 11.966 10.304 3.683 1.00 0.00 N ATOM 1759 CA PRO A 112 10.892 11.170 4.190 1.00 0.00 C ATOM 1760 C PRO A 112 10.426 12.201 3.163 1.00 0.00 C ATOM 1761 O PRO A 112 9.400 12.856 3.353 1.00 0.00 O ATOM 1762 CB PRO A 112 11.531 11.877 5.390 1.00 0.00 C ATOM 1763 CG PRO A 112 12.680 11.017 5.782 1.00 0.00 C ATOM 1764 CD PRO A 112 13.177 10.390 4.515 1.00 0.00 C ATOM 0 HA PRO A 112 10.002 10.592 4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.863 12.881 5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.820 11.982 6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 112 13.463 11.606 6.259 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.371 10.256 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.948 10.997 4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.612 9.407 4.696 1.00 0.00 H new ATOM 1772 N ASN A 113 11.182 12.341 2.080 1.00 0.00 N ATOM 1773 CA ASN A 113 10.840 13.292 1.031 1.00 0.00 C ATOM 1774 C ASN A 113 9.832 12.683 0.064 1.00 0.00 C ATOM 1775 O ASN A 113 8.689 13.139 -0.023 1.00 0.00 O ATOM 1776 CB ASN A 113 12.099 13.724 0.274 1.00 0.00 C ATOM 1777 CG ASN A 113 11.795 14.652 -0.886 1.00 0.00 C ATOM 1778 OD1 ASN A 113 10.955 15.547 -0.785 1.00 0.00 O ATOM 1779 ND2 ASN A 113 12.470 14.435 -1.999 1.00 0.00 N ATOM 0 H ASN A 113 12.034 11.808 1.906 1.00 0.00 H new ATOM 0 HA ASN A 113 10.390 14.169 1.496 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.780 14.223 0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.615 12.839 -0.099 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.304 15.020 -2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.157 13.682 -2.040 1.00 0.00 H new ATOM 1786 N TYR A 114 10.272 11.648 -0.657 1.00 0.00 N ATOM 1787 CA TYR A 114 9.438 10.947 -1.635 1.00 0.00 C ATOM 1788 C TYR A 114 9.074 11.864 -2.812 1.00 0.00 C ATOM 1789 O TYR A 114 9.391 13.055 -2.805 1.00 0.00 O ATOM 1790 CB TYR A 114 8.175 10.387 -0.966 1.00 0.00 C ATOM 1791 CG TYR A 114 7.530 9.257 -1.735 1.00 0.00 C ATOM 1792 CD1 TYR A 114 8.275 8.156 -2.140 1.00 0.00 C ATOM 1793 CD2 TYR A 114 6.181 9.294 -2.064 1.00 0.00 C ATOM 1794 CE1 TYR A 114 7.693 7.125 -2.850 1.00 0.00 C ATOM 1795 CE2 TYR A 114 5.594 8.263 -2.773 1.00 0.00 C ATOM 1796 CZ TYR A 114 6.355 7.183 -3.163 1.00 0.00 C ATOM 1797 OH TYR A 114 5.779 6.162 -3.880 1.00 0.00 O ATOM 0 H TYR A 114 11.217 11.273 -0.578 1.00 0.00 H new ATOM 0 HA TYR A 114 10.014 10.111 -2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 114 8.430 10.035 0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 114 7.451 11.193 -0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 114 9.326 8.106 -1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.582 10.140 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.286 6.277 -3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.543 8.304 -3.020 1.00 0.00 H new ATOM 0 HH TYR A 114 4.828 6.354 -4.017 1.00 0.00 H new ATOM 1807 N LEU A 115 8.444 11.299 -3.837 1.00 0.00 N ATOM 1808 CA LEU A 115 8.043 12.065 -5.011 1.00 0.00 C ATOM 1809 C LEU A 115 6.797 11.455 -5.651 1.00 0.00 C ATOM 1810 O LEU A 115 6.331 10.396 -5.226 1.00 0.00 O ATOM 1811 CB LEU A 115 9.186 12.183 -6.049 1.00 0.00 C ATOM 1812 CG LEU A 115 10.048 10.930 -6.344 1.00 0.00 C ATOM 1813 CD1 LEU A 115 11.089 10.705 -5.259 1.00 0.00 C ATOM 1814 CD2 LEU A 115 9.198 9.682 -6.529 1.00 0.00 C ATOM 0 H LEU A 115 8.200 10.310 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 115 7.808 13.074 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 115 8.746 12.512 -6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.856 12.976 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 115 10.565 11.122 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.676 9.818 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.747 11.572 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.590 10.564 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.844 8.829 -6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.625 9.494 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.514 9.828 -7.365 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.093 -9.517 -2.087 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.356 -9.190 -2.741 1.00 0.00 C ATOM 2022 C LEU B 390 -7.258 -10.420 -2.836 1.00 0.00 C ATOM 2023 O LEU B 390 -8.454 -10.307 -3.110 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.104 -8.614 -4.138 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.336 -8.015 -4.819 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.899 -6.869 -3.994 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -6.989 -7.544 -6.219 1.00 0.00 C ATOM 0 HA LEU B 390 -6.862 -8.438 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.337 -7.843 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -5.703 -9.403 -4.774 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.100 -8.789 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -8.775 -6.456 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -8.184 -7.236 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -7.142 -6.092 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -7.876 -7.120 -6.691 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -6.209 -6.785 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -6.633 -8.388 -6.809 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.687 -11.591 -2.582 1.00 0.00 N ATOM 2040 CA GLU B 391 -7.431 -12.843 -2.656 1.00 0.00 C ATOM 2041 C GLU B 391 -8.433 -12.970 -1.512 1.00 0.00 C ATOM 2042 O GLU B 391 -9.273 -13.867 -1.507 1.00 0.00 O ATOM 2043 CB GLU B 391 -6.469 -14.024 -2.633 1.00 0.00 C ATOM 2044 CG GLU B 391 -6.940 -15.203 -3.460 1.00 0.00 C ATOM 2045 CD GLU B 391 -6.289 -16.497 -3.040 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -6.796 -17.138 -2.097 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -5.277 -16.883 -3.656 1.00 0.00 O ATOM 0 H GLU B 391 -5.707 -11.700 -2.322 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.988 -12.843 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -5.496 -13.697 -3.001 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -6.327 -14.347 -1.602 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -8.022 -15.298 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -6.724 -15.015 -4.512 1.00 0.00 H new ATOM 2054 N ARG B 392 -8.328 -12.087 -0.537 1.00 0.00 N ATOM 2055 CA ARG B 392 -9.245 -12.092 0.594 1.00 0.00 C ATOM 2056 C ARG B 392 -10.545 -11.384 0.213 1.00 0.00 C ATOM 2057 O ARG B 392 -11.623 -11.701 0.718 1.00 0.00 O ATOM 2058 CB ARG B 392 -8.602 -11.386 1.790 1.00 0.00 C ATOM 2059 CG ARG B 392 -9.497 -11.326 3.015 1.00 0.00 C ATOM 2060 CD ARG B 392 -9.228 -12.483 3.965 1.00 0.00 C ATOM 2061 NE ARG B 392 -8.002 -12.281 4.740 1.00 0.00 N ATOM 2062 CZ ARG B 392 -6.833 -12.860 4.461 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -6.738 -13.732 3.467 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -5.765 -12.582 5.194 1.00 0.00 N ATOM 0 H ARG B 392 -7.618 -11.356 -0.503 1.00 0.00 H new ATOM 0 HA ARG B 392 -9.467 -13.124 0.866 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -7.677 -11.901 2.051 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -8.330 -10.371 1.499 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -9.337 -10.382 3.536 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -10.542 -11.346 2.704 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -10.072 -12.598 4.645 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -9.149 -13.409 3.396 1.00 0.00 H new ATOM 0 HE ARG B 392 -8.045 -11.657 5.546 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -7.561 -13.963 2.911 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -5.842 -14.172 3.258 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -5.837 -11.925 5.971 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -4.871 -13.025 4.981 1.00 0.00 H new ATOM 2078 N ILE B 393 -10.422 -10.446 -0.713 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.545 -9.637 -1.182 1.00 0.00 C ATOM 2080 C ILE B 393 -12.675 -10.480 -1.769 1.00 0.00 C ATOM 2081 O ILE B 393 -13.851 -10.160 -1.589 1.00 0.00 O ATOM 2082 CB ILE B 393 -11.077 -8.600 -2.229 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.626 -7.319 -1.531 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.174 -8.287 -3.229 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -9.457 -7.524 -0.602 1.00 0.00 C ATOM 0 H ILE B 393 -9.536 -10.220 -1.165 1.00 0.00 H new ATOM 0 HA ILE B 393 -11.937 -9.122 -0.305 1.00 0.00 H new ATOM 0 HB ILE B 393 -10.238 -9.030 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -10.356 -6.579 -2.284 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -11.462 -6.908 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -11.811 -7.555 -3.950 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -12.461 -9.199 -3.752 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -13.039 -7.882 -2.705 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -9.189 -6.574 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -9.729 -8.240 0.173 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -8.606 -7.906 -1.166 1.00 0.00 H new ATOM 2097 N ARG B 394 -12.322 -11.561 -2.453 1.00 0.00 N ATOM 2098 CA ARG B 394 -13.325 -12.425 -3.074 1.00 0.00 C ATOM 2099 C ARG B 394 -14.291 -12.993 -2.033 1.00 0.00 C ATOM 2100 O ARG B 394 -15.420 -13.357 -2.356 1.00 0.00 O ATOM 2101 CB ARG B 394 -12.663 -13.540 -3.887 1.00 0.00 C ATOM 2102 CG ARG B 394 -11.644 -14.360 -3.121 1.00 0.00 C ATOM 2103 CD ARG B 394 -10.978 -15.379 -4.028 1.00 0.00 C ATOM 2104 NE ARG B 394 -10.025 -16.225 -3.313 1.00 0.00 N ATOM 2105 CZ ARG B 394 -10.199 -17.529 -3.113 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -11.311 -18.123 -3.539 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -9.262 -18.239 -2.495 1.00 0.00 N ATOM 0 H ARG B 394 -11.357 -11.861 -2.593 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.909 -11.814 -3.763 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -13.439 -14.207 -4.263 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -12.175 -13.098 -4.756 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -10.889 -13.701 -2.692 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -12.132 -14.870 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -11.742 -16.006 -4.488 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -10.463 -14.860 -4.836 1.00 0.00 H new ATOM 0 HE ARG B 394 -9.178 -15.791 -2.946 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -12.028 -17.579 -4.018 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -11.446 -19.122 -3.386 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -8.407 -17.785 -2.173 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -9.397 -19.238 -2.342 1.00 0.00 H new ATOM 2121 N ALA B 395 -13.852 -13.051 -0.783 1.00 0.00 N ATOM 2122 CA ALA B 395 -14.694 -13.536 0.299 1.00 0.00 C ATOM 2123 C ALA B 395 -15.255 -12.354 1.084 1.00 0.00 C ATOM 2124 O ALA B 395 -16.228 -12.478 1.827 1.00 0.00 O ATOM 2125 CB ALA B 395 -13.903 -14.455 1.215 1.00 0.00 C ATOM 0 H ALA B 395 -12.916 -12.767 -0.494 1.00 0.00 H new ATOM 0 HA ALA B 395 -15.522 -14.106 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -14.547 -14.809 2.020 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -13.533 -15.307 0.644 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -13.060 -13.909 1.639 1.00 0.00 H new ATOM 2131 N LYS B 396 -14.627 -11.198 0.897 1.00 0.00 N ATOM 2132 CA LYS B 396 -15.024 -9.972 1.579 1.00 0.00 C ATOM 2133 C LYS B 396 -16.204 -9.288 0.887 1.00 0.00 C ATOM 2134 O LYS B 396 -17.000 -8.611 1.536 1.00 0.00 O ATOM 2135 CB LYS B 396 -13.837 -9.006 1.653 1.00 0.00 C ATOM 2136 CG LYS B 396 -14.109 -7.772 2.491 1.00 0.00 C ATOM 2137 CD LYS B 396 -14.239 -6.518 1.641 1.00 0.00 C ATOM 2138 CE LYS B 396 -14.940 -5.402 2.410 1.00 0.00 C ATOM 2139 NZ LYS B 396 -14.575 -5.391 3.858 1.00 0.00 N ATOM 0 H LYS B 396 -13.830 -11.085 0.270 1.00 0.00 H new ATOM 0 HA LYS B 396 -15.342 -10.245 2.585 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -12.976 -9.532 2.066 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -13.568 -8.697 0.643 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -15.025 -7.918 3.063 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -13.302 -7.639 3.211 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -13.250 -6.183 1.329 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -14.799 -6.746 0.734 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -14.682 -4.441 1.966 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -16.019 -5.519 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -14.721 -4.437 4.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -15.173 -6.069 4.372 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -13.576 -5.659 3.966 1.00 0.00 H new