USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=20 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 Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0334 USER MOD Single : A 18 SER OG : rot 82:sc= 1.21 USER MOD Single : A 21 SER OG : rot -81:sc= 0.691 USER MOD Single : A 22 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.6!) USER MOD Single : A 27 HIS : no HE2:sc= -0.095 X(o=-0.095,f=-0.27) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= 2.5 (180deg=1.72) USER MOD Single : A 38 SER OG : rot -160:sc= -0.381 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 47 ASN : amide:sc= 0.191 K(o=0.19,f=-1.6) USER MOD Single : A 49 TYR OH : rot -136:sc= -2.78! USER MOD Single : A 51 LYS NZ :NH3+ 144:sc= 0.841 (180deg=0.0321!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0775 X(o=-0.077,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 135:sc= 1.24 (180deg=0.792) USER MOD Single : A 67 LYS NZ :NH3+ -137:sc= -1.46 (180deg=-3.81!) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= -0.0639 (180deg=-0.314) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -81:sc= 1.27 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 X(o=0,f=-0.012) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.8!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 114 TYR OH : rot -70:sc= 2.2 USER MOD Single : B 396 LYS NZ :NH3+ -171:sc= -0.023 (180deg=-0.0889) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -6.176 12.995 -8.675 1.00 0.00 N ATOM 140 CA PHE A 14 -5.694 11.648 -8.409 1.00 0.00 C ATOM 141 C PHE A 14 -6.007 11.270 -6.967 1.00 0.00 C ATOM 142 O PHE A 14 -5.124 11.281 -6.105 1.00 0.00 O ATOM 143 CB PHE A 14 -4.184 11.559 -8.657 1.00 0.00 C ATOM 144 CG PHE A 14 -3.724 12.276 -9.897 1.00 0.00 C ATOM 145 CD1 PHE A 14 -3.849 11.684 -11.143 1.00 0.00 C ATOM 146 CD2 PHE A 14 -3.165 13.541 -9.813 1.00 0.00 C ATOM 147 CE1 PHE A 14 -3.425 12.342 -12.282 1.00 0.00 C ATOM 148 CE2 PHE A 14 -2.738 14.202 -10.948 1.00 0.00 C ATOM 149 CZ PHE A 14 -2.870 13.603 -12.183 1.00 0.00 C ATOM 0 HA PHE A 14 -6.196 10.954 -9.083 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.660 11.972 -7.795 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.899 10.509 -8.730 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.282 10.698 -11.225 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.062 14.016 -8.848 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.527 11.871 -13.248 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.301 15.187 -10.868 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.540 14.119 -13.072 1.00 0.00 H new ATOM 159 N SER A 15 -7.271 10.961 -6.703 1.00 0.00 N ATOM 160 CA SER A 15 -7.706 10.604 -5.360 1.00 0.00 C ATOM 161 C SER A 15 -7.013 9.344 -4.859 1.00 0.00 C ATOM 162 O SER A 15 -6.544 9.305 -3.723 1.00 0.00 O ATOM 163 CB SER A 15 -9.223 10.424 -5.315 1.00 0.00 C ATOM 164 OG SER A 15 -9.874 11.678 -5.288 1.00 0.00 O ATOM 0 H SER A 15 -8.013 10.951 -7.403 1.00 0.00 H new ATOM 0 HA SER A 15 -7.426 11.424 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.553 9.856 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.500 9.846 -4.433 1.00 0.00 H new ATOM 0 HG SER A 15 -10.844 11.542 -5.261 1.00 0.00 H new ATOM 170 N GLU A 16 -6.933 8.325 -5.706 1.00 0.00 N ATOM 171 CA GLU A 16 -6.298 7.072 -5.319 1.00 0.00 C ATOM 172 C GLU A 16 -4.818 7.283 -5.009 1.00 0.00 C ATOM 173 O GLU A 16 -4.304 6.746 -4.033 1.00 0.00 O ATOM 174 CB GLU A 16 -6.490 5.993 -6.396 1.00 0.00 C ATOM 175 CG GLU A 16 -5.630 6.161 -7.643 1.00 0.00 C ATOM 176 CD GLU A 16 -5.996 7.385 -8.447 1.00 0.00 C ATOM 177 OE1 GLU A 16 -7.092 7.404 -9.039 1.00 0.00 O ATOM 178 OE2 GLU A 16 -5.191 8.339 -8.482 1.00 0.00 O ATOM 0 H GLU A 16 -7.297 8.341 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.785 6.720 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.276 5.020 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.538 5.984 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.582 6.225 -7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.732 5.276 -8.271 1.00 0.00 H new ATOM 185 N TYR A 17 -4.139 8.083 -5.824 1.00 0.00 N ATOM 186 CA TYR A 17 -2.727 8.342 -5.610 1.00 0.00 C ATOM 187 C TYR A 17 -2.515 9.083 -4.300 1.00 0.00 C ATOM 188 O TYR A 17 -1.645 8.721 -3.513 1.00 0.00 O ATOM 189 CB TYR A 17 -2.130 9.148 -6.766 1.00 0.00 C ATOM 190 CG TYR A 17 -0.662 9.472 -6.573 1.00 0.00 C ATOM 191 CD1 TYR A 17 0.302 8.472 -6.618 1.00 0.00 C ATOM 192 CD2 TYR A 17 -0.242 10.774 -6.332 1.00 0.00 C ATOM 193 CE1 TYR A 17 1.639 8.762 -6.432 1.00 0.00 C ATOM 194 CE2 TYR A 17 1.094 11.070 -6.144 1.00 0.00 C ATOM 195 CZ TYR A 17 2.029 10.061 -6.194 1.00 0.00 C ATOM 196 OH TYR A 17 3.361 10.352 -6.009 1.00 0.00 O ATOM 0 H TYR A 17 -4.543 8.558 -6.631 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.217 7.380 -5.563 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.253 8.587 -7.693 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.689 10.077 -6.879 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.000 7.451 -6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.973 11.568 -6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.376 7.973 -6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.403 12.088 -5.959 1.00 0.00 H new ATOM 0 HH TYR A 17 3.467 11.314 -5.853 1.00 0.00 H new ATOM 206 N SER A 18 -3.327 10.101 -4.061 1.00 0.00 N ATOM 207 CA SER A 18 -3.218 10.897 -2.845 1.00 0.00 C ATOM 208 C SER A 18 -3.573 10.063 -1.615 1.00 0.00 C ATOM 209 O SER A 18 -2.911 10.144 -0.582 1.00 0.00 O ATOM 210 CB SER A 18 -4.131 12.124 -2.937 1.00 0.00 C ATOM 211 OG SER A 18 -3.964 12.785 -4.181 1.00 0.00 O ATOM 0 H SER A 18 -4.071 10.397 -4.693 1.00 0.00 H new ATOM 0 HA SER A 18 -2.185 11.230 -2.743 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.171 11.819 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.906 12.812 -2.122 1.00 0.00 H new ATOM 0 HG SER A 18 -4.497 12.331 -4.867 1.00 0.00 H new ATOM 217 N ARG A 19 -4.605 9.239 -1.748 1.00 0.00 N ATOM 218 CA ARG A 19 -5.062 8.383 -0.662 1.00 0.00 C ATOM 219 C ARG A 19 -3.988 7.365 -0.274 1.00 0.00 C ATOM 220 O ARG A 19 -3.809 7.051 0.905 1.00 0.00 O ATOM 221 CB ARG A 19 -6.347 7.664 -1.088 1.00 0.00 C ATOM 222 CG ARG A 19 -7.060 6.933 0.036 1.00 0.00 C ATOM 223 CD ARG A 19 -7.574 7.889 1.100 1.00 0.00 C ATOM 224 NE ARG A 19 -8.538 7.241 1.990 1.00 0.00 N ATOM 225 CZ ARG A 19 -8.419 7.187 3.315 1.00 0.00 C ATOM 226 NH1 ARG A 19 -7.395 7.779 3.920 1.00 0.00 N ATOM 227 NH2 ARG A 19 -9.332 6.548 4.037 1.00 0.00 N ATOM 0 H ARG A 19 -5.146 9.146 -2.608 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.263 9.003 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.031 8.394 -1.521 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.105 6.949 -1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.894 6.364 -0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.378 6.216 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.736 8.267 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.042 8.749 0.621 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.356 6.801 1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.696 8.277 3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.308 7.735 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.124 6.099 3.576 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.242 6.506 5.052 1.00 0.00 H new ATOM 241 N ILE A 20 -3.280 6.847 -1.271 1.00 0.00 N ATOM 242 CA ILE A 20 -2.230 5.865 -1.034 1.00 0.00 C ATOM 243 C ILE A 20 -0.947 6.535 -0.537 1.00 0.00 C ATOM 244 O ILE A 20 -0.372 6.120 0.467 1.00 0.00 O ATOM 245 CB ILE A 20 -1.933 5.031 -2.309 1.00 0.00 C ATOM 246 CG1 ILE A 20 -2.811 3.778 -2.361 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.465 4.627 -2.379 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.273 4.050 -2.636 1.00 0.00 C ATOM 0 H ILE A 20 -3.415 7.091 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.593 5.190 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.162 5.663 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.427 3.112 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.725 3.249 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.291 4.044 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.158 5.521 -2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.211 4.026 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.821 3.108 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.678 4.689 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.375 4.549 -3.599 1.00 0.00 H new ATOM 260 N SER A 21 -0.507 7.575 -1.240 1.00 0.00 N ATOM 261 CA SER A 21 0.719 8.288 -0.877 1.00 0.00 C ATOM 262 C SER A 21 0.653 8.823 0.550 1.00 0.00 C ATOM 263 O SER A 21 1.656 8.814 1.271 1.00 0.00 O ATOM 264 CB SER A 21 0.994 9.429 -1.862 1.00 0.00 C ATOM 265 OG SER A 21 -0.142 10.260 -2.021 1.00 0.00 O ATOM 0 H SER A 21 -0.980 7.945 -2.065 1.00 0.00 H new ATOM 0 HA SER A 21 1.541 7.575 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.835 10.024 -1.506 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.282 9.016 -2.828 1.00 0.00 H new ATOM 0 HG SER A 21 -0.766 9.844 -2.651 1.00 0.00 H new ATOM 271 N ASN A 22 -0.529 9.278 0.957 1.00 0.00 N ATOM 272 CA ASN A 22 -0.723 9.805 2.304 1.00 0.00 C ATOM 273 C ASN A 22 -0.403 8.741 3.345 1.00 0.00 C ATOM 274 O ASN A 22 0.155 9.043 4.394 1.00 0.00 O ATOM 275 CB ASN A 22 -2.157 10.315 2.495 1.00 0.00 C ATOM 276 CG ASN A 22 -2.247 11.827 2.412 1.00 0.00 C ATOM 277 OD1 ASN A 22 -1.301 12.537 2.760 1.00 0.00 O ATOM 278 ND2 ASN A 22 -3.387 12.329 1.960 1.00 0.00 N ATOM 0 H ASN A 22 -1.366 9.292 0.374 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.040 10.644 2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.802 9.873 1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.532 9.984 3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.507 13.339 1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.145 11.705 1.683 1.00 0.00 H new ATOM 285 N LEU A 23 -0.731 7.490 3.037 1.00 0.00 N ATOM 286 CA LEU A 23 -0.465 6.386 3.954 1.00 0.00 C ATOM 287 C LEU A 23 1.035 6.262 4.232 1.00 0.00 C ATOM 288 O LEU A 23 1.449 5.956 5.352 1.00 0.00 O ATOM 289 CB LEU A 23 -1.007 5.063 3.377 1.00 0.00 C ATOM 290 CG LEU A 23 -0.076 3.847 3.520 1.00 0.00 C ATOM 291 CD1 LEU A 23 -0.861 2.589 3.828 1.00 0.00 C ATOM 292 CD2 LEU A 23 0.748 3.647 2.256 1.00 0.00 C ATOM 0 H LEU A 23 -1.180 7.216 2.163 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.976 6.595 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.953 4.834 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.224 5.210 2.319 1.00 0.00 H new ATOM 0 HG LEU A 23 0.598 4.045 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.176 1.747 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.407 2.720 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.566 2.393 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.399 2.782 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.081 3.482 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.354 4.534 2.073 1.00 0.00 H new ATOM 304 N ILE A 24 1.843 6.518 3.210 1.00 0.00 N ATOM 305 CA ILE A 24 3.288 6.409 3.333 1.00 0.00 C ATOM 306 C ILE A 24 3.854 7.520 4.208 1.00 0.00 C ATOM 307 O ILE A 24 4.559 7.247 5.180 1.00 0.00 O ATOM 308 CB ILE A 24 3.973 6.411 1.937 1.00 0.00 C ATOM 309 CG1 ILE A 24 4.088 4.978 1.418 1.00 0.00 C ATOM 310 CG2 ILE A 24 5.350 7.067 1.976 1.00 0.00 C ATOM 311 CD1 ILE A 24 4.875 4.067 2.339 1.00 0.00 C ATOM 0 H ILE A 24 1.519 6.803 2.286 1.00 0.00 H new ATOM 0 HA ILE A 24 3.503 5.456 3.816 1.00 0.00 H new ATOM 0 HB ILE A 24 3.352 7.000 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.088 4.568 1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.564 4.991 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.791 7.046 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.251 8.101 2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.992 6.524 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.918 3.066 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.887 4.455 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.387 4.024 3.313 1.00 0.00 H new ATOM 323 N VAL A 25 3.513 8.759 3.888 1.00 0.00 N ATOM 324 CA VAL A 25 4.021 9.900 4.636 1.00 0.00 C ATOM 325 C VAL A 25 3.465 9.940 6.063 1.00 0.00 C ATOM 326 O VAL A 25 4.214 10.153 7.014 1.00 0.00 O ATOM 327 CB VAL A 25 3.730 11.234 3.901 1.00 0.00 C ATOM 328 CG1 VAL A 25 2.282 11.309 3.447 1.00 0.00 C ATOM 329 CG2 VAL A 25 4.076 12.429 4.775 1.00 0.00 C ATOM 0 H VAL A 25 2.889 9.000 3.118 1.00 0.00 H new ATOM 0 HA VAL A 25 5.102 9.777 4.704 1.00 0.00 H new ATOM 0 HB VAL A 25 4.365 11.263 3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.110 12.256 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.071 10.485 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.625 11.240 4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.862 13.350 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.480 12.397 5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.135 12.397 5.032 1.00 0.00 H new ATOM 339 N LEU A 26 2.170 9.692 6.210 1.00 0.00 N ATOM 340 CA LEU A 26 1.524 9.732 7.519 1.00 0.00 C ATOM 341 C LEU A 26 2.024 8.628 8.440 1.00 0.00 C ATOM 342 O LEU A 26 2.397 8.891 9.583 1.00 0.00 O ATOM 343 CB LEU A 26 0.008 9.632 7.368 1.00 0.00 C ATOM 344 CG LEU A 26 -0.675 10.919 6.913 1.00 0.00 C ATOM 345 CD1 LEU A 26 -2.054 10.615 6.357 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.767 11.906 8.067 1.00 0.00 C ATOM 0 H LEU A 26 1.544 9.461 5.439 1.00 0.00 H new ATOM 0 HA LEU A 26 1.783 10.688 7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.221 8.843 6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.419 9.329 8.324 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.077 11.371 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.529 11.542 6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.962 9.941 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.662 10.144 7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.256 12.819 7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.346 11.464 8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.235 12.143 8.424 1.00 0.00 H new ATOM 358 N HIS A 27 2.050 7.397 7.954 1.00 0.00 N ATOM 359 CA HIS A 27 2.493 6.285 8.784 1.00 0.00 C ATOM 360 C HIS A 27 3.988 6.372 9.077 1.00 0.00 C ATOM 361 O HIS A 27 4.442 5.931 10.131 1.00 0.00 O ATOM 362 CB HIS A 27 2.153 4.941 8.142 1.00 0.00 C ATOM 363 CG HIS A 27 2.058 3.817 9.130 1.00 0.00 C ATOM 364 ND1 HIS A 27 1.387 3.917 10.327 1.00 0.00 N ATOM 365 CD2 HIS A 27 2.565 2.565 9.091 1.00 0.00 C ATOM 366 CE1 HIS A 27 1.481 2.773 10.979 1.00 0.00 C ATOM 367 NE2 HIS A 27 2.192 1.935 10.249 1.00 0.00 N ATOM 0 H HIS A 27 1.775 7.143 7.005 1.00 0.00 H new ATOM 0 HA HIS A 27 1.956 6.355 9.730 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.205 5.030 7.611 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.913 4.699 7.399 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.894 4.746 10.659 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.156 2.139 8.293 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.049 2.559 11.946 1.00 0.00 H new ATOM 376 N LEU A 28 4.757 6.932 8.153 1.00 0.00 N ATOM 377 CA LEU A 28 6.192 7.065 8.362 1.00 0.00 C ATOM 378 C LEU A 28 6.494 8.175 9.362 1.00 0.00 C ATOM 379 O LEU A 28 7.273 7.979 10.293 1.00 0.00 O ATOM 380 CB LEU A 28 6.915 7.334 7.044 1.00 0.00 C ATOM 381 CG LEU A 28 8.436 7.437 7.151 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.012 6.215 7.861 1.00 0.00 C ATOM 383 CD2 LEU A 28 9.046 7.596 5.769 1.00 0.00 C ATOM 0 H LEU A 28 4.417 7.297 7.263 1.00 0.00 H new ATOM 0 HA LEU A 28 6.556 6.122 8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.668 6.537 6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.532 8.262 6.620 1.00 0.00 H new ATOM 0 HG LEU A 28 8.685 8.317 7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.096 6.309 7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.593 6.146 8.865 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.759 5.315 7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.130 7.669 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.788 6.732 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.658 8.501 5.302 1.00 0.00 H new ATOM 395 N ARG A 29 5.870 9.333 9.178 1.00 0.00 N ATOM 396 CA ARG A 29 6.087 10.461 10.083 1.00 0.00 C ATOM 397 C ARG A 29 5.642 10.105 11.498 1.00 0.00 C ATOM 398 O ARG A 29 6.191 10.611 12.476 1.00 0.00 O ATOM 399 CB ARG A 29 5.356 11.717 9.594 1.00 0.00 C ATOM 400 CG ARG A 29 3.843 11.615 9.654 1.00 0.00 C ATOM 401 CD ARG A 29 3.185 12.946 9.359 1.00 0.00 C ATOM 402 NE ARG A 29 3.284 13.860 10.494 1.00 0.00 N ATOM 403 CZ ARG A 29 2.609 15.002 10.589 1.00 0.00 C ATOM 404 NH1 ARG A 29 1.816 15.392 9.601 1.00 0.00 N ATOM 405 NH2 ARG A 29 2.729 15.755 11.673 1.00 0.00 N ATOM 0 H ARG A 29 5.215 9.517 8.418 1.00 0.00 H new ATOM 0 HA ARG A 29 7.155 10.677 10.095 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.676 12.568 10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.655 11.922 8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.499 10.871 8.936 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.540 11.269 10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.654 13.398 8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.136 12.786 9.111 1.00 0.00 H new ATOM 0 HE ARG A 29 3.908 13.607 11.260 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.722 14.816 8.765 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.300 16.268 9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.339 15.459 12.435 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.211 16.631 11.745 1.00 0.00 H new ATOM 419 N LYS A 30 4.654 9.227 11.597 1.00 0.00 N ATOM 420 CA LYS A 30 4.143 8.798 12.887 1.00 0.00 C ATOM 421 C LYS A 30 5.160 7.912 13.605 1.00 0.00 C ATOM 422 O LYS A 30 5.424 8.100 14.794 1.00 0.00 O ATOM 423 CB LYS A 30 2.823 8.043 12.711 1.00 0.00 C ATOM 424 CG LYS A 30 2.095 7.785 14.018 1.00 0.00 C ATOM 425 CD LYS A 30 1.584 9.076 14.633 1.00 0.00 C ATOM 426 CE LYS A 30 1.621 9.022 16.149 1.00 0.00 C ATOM 427 NZ LYS A 30 2.998 9.208 16.678 1.00 0.00 N ATOM 0 H LYS A 30 4.191 8.798 10.796 1.00 0.00 H new ATOM 0 HA LYS A 30 3.966 9.685 13.495 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.173 8.614 12.048 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.021 7.090 12.220 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.259 7.108 13.843 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.766 7.288 14.718 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.190 9.912 14.283 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.563 9.260 14.299 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.969 9.795 16.556 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.229 8.063 16.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.063 8.793 17.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.679 8.738 16.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.217 10.224 16.728 1.00 0.00 H new ATOM 441 N VAL A 31 5.740 6.963 12.878 1.00 0.00 N ATOM 442 CA VAL A 31 6.711 6.047 13.465 1.00 0.00 C ATOM 443 C VAL A 31 8.062 6.718 13.709 1.00 0.00 C ATOM 444 O VAL A 31 8.741 6.396 14.683 1.00 0.00 O ATOM 445 CB VAL A 31 6.899 4.767 12.624 1.00 0.00 C ATOM 446 CG1 VAL A 31 5.585 4.009 12.513 1.00 0.00 C ATOM 447 CG2 VAL A 31 7.460 5.079 11.244 1.00 0.00 C ATOM 0 H VAL A 31 5.556 6.808 11.887 1.00 0.00 H new ATOM 0 HA VAL A 31 6.295 5.756 14.429 1.00 0.00 H new ATOM 0 HB VAL A 31 7.626 4.136 13.136 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.734 3.109 11.917 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.240 3.732 13.509 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.839 4.643 12.033 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.578 4.153 10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.775 5.741 10.714 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.429 5.567 11.347 1.00 0.00 H new ATOM 457 N GLU A 32 8.462 7.643 12.834 1.00 0.00 N ATOM 458 CA GLU A 32 9.730 8.346 13.021 1.00 0.00 C ATOM 459 C GLU A 32 9.626 9.264 14.233 1.00 0.00 C ATOM 460 O GLU A 32 10.611 9.521 14.925 1.00 0.00 O ATOM 461 CB GLU A 32 10.127 9.146 11.772 1.00 0.00 C ATOM 462 CG GLU A 32 9.172 10.272 11.421 1.00 0.00 C ATOM 463 CD GLU A 32 9.690 11.159 10.309 1.00 0.00 C ATOM 464 OE1 GLU A 32 10.048 10.633 9.236 1.00 0.00 O ATOM 465 OE2 GLU A 32 9.733 12.394 10.502 1.00 0.00 O ATOM 0 H GLU A 32 7.937 7.918 12.004 1.00 0.00 H new ATOM 0 HA GLU A 32 10.511 7.605 13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.122 9.564 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.193 8.464 10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.213 9.849 11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.992 10.879 12.309 1.00 0.00 H new ATOM 472 N GLU A 33 8.409 9.729 14.486 1.00 0.00 N ATOM 473 CA GLU A 33 8.120 10.602 15.615 1.00 0.00 C ATOM 474 C GLU A 33 8.203 9.807 16.912 1.00 0.00 C ATOM 475 O GLU A 33 8.584 10.330 17.959 1.00 0.00 O ATOM 476 CB GLU A 33 6.724 11.209 15.451 1.00 0.00 C ATOM 477 CG GLU A 33 6.326 12.187 16.543 1.00 0.00 C ATOM 478 CD GLU A 33 4.867 12.586 16.445 1.00 0.00 C ATOM 479 OE1 GLU A 33 3.994 11.751 16.770 1.00 0.00 O ATOM 480 OE2 GLU A 33 4.584 13.728 16.023 1.00 0.00 O ATOM 0 H GLU A 33 7.594 9.511 13.913 1.00 0.00 H new ATOM 0 HA GLU A 33 8.853 11.408 15.650 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.675 11.719 14.489 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.993 10.401 15.421 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.514 11.738 17.518 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.951 13.078 16.477 1.00 0.00 H new ATOM 487 N GLU A 34 7.865 8.530 16.821 1.00 0.00 N ATOM 488 CA GLU A 34 7.899 7.648 17.973 1.00 0.00 C ATOM 489 C GLU A 34 9.304 7.110 18.179 1.00 0.00 C ATOM 490 O GLU A 34 9.942 7.367 19.198 1.00 0.00 O ATOM 491 CB GLU A 34 6.933 6.479 17.781 1.00 0.00 C ATOM 492 CG GLU A 34 5.469 6.879 17.754 1.00 0.00 C ATOM 493 CD GLU A 34 5.021 7.530 19.042 1.00 0.00 C ATOM 494 OE1 GLU A 34 5.504 7.123 20.119 1.00 0.00 O ATOM 495 OE2 GLU A 34 4.182 8.450 18.986 1.00 0.00 O ATOM 0 H GLU A 34 7.563 8.081 15.956 1.00 0.00 H new ATOM 0 HA GLU A 34 7.597 8.220 18.850 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.176 5.971 16.848 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.087 5.760 18.585 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.299 7.567 16.925 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.858 5.996 17.566 1.00 0.00 H new ATOM 502 N GLU A 35 9.783 6.376 17.189 1.00 0.00 N ATOM 503 CA GLU A 35 11.102 5.778 17.242 1.00 0.00 C ATOM 504 C GLU A 35 12.054 6.507 16.303 1.00 0.00 C ATOM 505 O GLU A 35 12.779 7.413 16.719 1.00 0.00 O ATOM 506 CB GLU A 35 11.024 4.300 16.854 1.00 0.00 C ATOM 507 CG GLU A 35 9.817 3.575 17.421 1.00 0.00 C ATOM 508 CD GLU A 35 9.832 3.517 18.933 1.00 0.00 C ATOM 509 OE1 GLU A 35 10.821 3.008 19.499 1.00 0.00 O ATOM 510 OE2 GLU A 35 8.856 3.973 19.562 1.00 0.00 O ATOM 0 H GLU A 35 9.269 6.180 16.330 1.00 0.00 H new ATOM 0 HA GLU A 35 11.480 5.862 18.261 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.005 4.221 15.767 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.929 3.798 17.194 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.908 4.076 17.089 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.786 2.561 17.022 1.00 0.00 H new ATOM 517 N ASP A 36 12.011 6.129 15.028 1.00 0.00 N ATOM 518 CA ASP A 36 12.876 6.717 14.007 1.00 0.00 C ATOM 519 C ASP A 36 12.562 6.124 12.638 1.00 0.00 C ATOM 520 O ASP A 36 12.285 6.851 11.685 1.00 0.00 O ATOM 521 CB ASP A 36 14.350 6.483 14.342 1.00 0.00 C ATOM 522 CG ASP A 36 15.276 7.218 13.400 1.00 0.00 C ATOM 523 OD1 ASP A 36 15.300 8.465 13.437 1.00 0.00 O ATOM 524 OD2 ASP A 36 15.989 6.554 12.621 1.00 0.00 O ATOM 0 H ASP A 36 11.379 5.410 14.674 1.00 0.00 H new ATOM 0 HA ASP A 36 12.687 7.790 13.985 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.544 6.807 15.365 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.565 5.415 14.300 1.00 0.00 H new ATOM 529 N GLU A 37 12.617 4.802 12.550 1.00 0.00 N ATOM 530 CA GLU A 37 12.320 4.088 11.313 1.00 0.00 C ATOM 531 C GLU A 37 12.079 2.607 11.605 1.00 0.00 C ATOM 532 O GLU A 37 13.015 1.827 11.784 1.00 0.00 O ATOM 533 CB GLU A 37 13.437 4.259 10.273 1.00 0.00 C ATOM 534 CG GLU A 37 14.830 3.917 10.776 1.00 0.00 C ATOM 535 CD GLU A 37 15.801 3.656 9.644 1.00 0.00 C ATOM 536 OE1 GLU A 37 16.253 4.634 9.009 1.00 0.00 O ATOM 537 OE2 GLU A 37 16.119 2.473 9.384 1.00 0.00 O ATOM 0 H GLU A 37 12.868 4.195 13.330 1.00 0.00 H new ATOM 0 HA GLU A 37 11.413 4.520 10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.212 3.630 9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.435 5.292 9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.203 4.736 11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.777 3.037 11.416 1.00 0.00 H new ATOM 544 N SER A 38 10.809 2.236 11.671 1.00 0.00 N ATOM 545 CA SER A 38 10.416 0.863 11.951 1.00 0.00 C ATOM 546 C SER A 38 10.927 -0.098 10.881 1.00 0.00 C ATOM 547 O SER A 38 11.527 -1.126 11.198 1.00 0.00 O ATOM 548 CB SER A 38 8.895 0.787 12.033 1.00 0.00 C ATOM 549 OG SER A 38 8.346 2.071 12.292 1.00 0.00 O ATOM 0 H SER A 38 10.026 2.874 11.533 1.00 0.00 H new ATOM 0 HA SER A 38 10.860 0.564 12.901 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.494 0.395 11.098 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.602 0.094 12.821 1.00 0.00 H new ATOM 0 HG SER A 38 7.440 1.973 12.651 1.00 0.00 H new ATOM 555 N ALA A 39 10.691 0.262 9.616 1.00 0.00 N ATOM 556 CA ALA A 39 11.093 -0.562 8.477 1.00 0.00 C ATOM 557 C ALA A 39 10.378 -1.916 8.511 1.00 0.00 C ATOM 558 O ALA A 39 9.557 -2.165 9.394 1.00 0.00 O ATOM 559 CB ALA A 39 12.609 -0.743 8.448 1.00 0.00 C ATOM 0 H ALA A 39 10.219 1.128 9.356 1.00 0.00 H new ATOM 0 HA ALA A 39 10.799 -0.048 7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.886 -1.359 7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.090 0.231 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.935 -1.231 9.367 1.00 0.00 H new ATOM 565 N LEU A 40 10.669 -2.766 7.524 1.00 0.00 N ATOM 566 CA LEU A 40 10.073 -4.107 7.442 1.00 0.00 C ATOM 567 C LEU A 40 8.545 -4.048 7.472 1.00 0.00 C ATOM 568 O LEU A 40 7.917 -4.420 8.464 1.00 0.00 O ATOM 569 CB LEU A 40 10.580 -4.995 8.591 1.00 0.00 C ATOM 570 CG LEU A 40 11.939 -5.671 8.373 1.00 0.00 C ATOM 571 CD1 LEU A 40 11.947 -6.447 7.069 1.00 0.00 C ATOM 572 CD2 LEU A 40 13.066 -4.648 8.400 1.00 0.00 C ATOM 0 H LEU A 40 11.316 -2.551 6.766 1.00 0.00 H new ATOM 0 HA LEU A 40 10.379 -4.540 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.640 -4.387 9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.837 -5.771 8.778 1.00 0.00 H new ATOM 0 HG LEU A 40 12.103 -6.374 9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.920 -6.919 6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.172 -7.213 7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.755 -5.767 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 40 14.019 -5.153 8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.910 -3.914 7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.077 -4.144 9.367 1.00 0.00 H new ATOM 584 N LYS A 41 7.947 -3.579 6.385 1.00 0.00 N ATOM 585 CA LYS A 41 6.495 -3.477 6.316 1.00 0.00 C ATOM 586 C LYS A 41 5.995 -3.518 4.873 1.00 0.00 C ATOM 587 O LYS A 41 5.362 -2.579 4.398 1.00 0.00 O ATOM 588 CB LYS A 41 6.015 -2.196 7.007 1.00 0.00 C ATOM 589 CG LYS A 41 6.733 -0.935 6.549 1.00 0.00 C ATOM 590 CD LYS A 41 6.144 0.302 7.201 1.00 0.00 C ATOM 591 CE LYS A 41 6.798 1.572 6.686 1.00 0.00 C ATOM 592 NZ LYS A 41 6.400 2.758 7.488 1.00 0.00 N ATOM 0 H LYS A 41 8.438 -3.266 5.547 1.00 0.00 H new ATOM 0 HA LYS A 41 6.080 -4.340 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.946 -2.078 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.147 -2.306 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.793 -1.008 6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.661 -0.846 5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.072 0.340 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.271 0.239 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.882 1.461 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.520 1.728 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.866 3.607 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.368 2.879 7.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.687 2.620 8.478 1.00 0.00 H new ATOM 606 N ARG A 42 6.291 -4.603 4.170 1.00 0.00 N ATOM 607 CA ARG A 42 5.847 -4.751 2.786 1.00 0.00 C ATOM 608 C ARG A 42 4.360 -5.085 2.749 1.00 0.00 C ATOM 609 O ARG A 42 3.548 -4.316 2.236 1.00 0.00 O ATOM 610 CB ARG A 42 6.638 -5.846 2.058 1.00 0.00 C ATOM 611 CG ARG A 42 8.065 -5.462 1.700 1.00 0.00 C ATOM 612 CD ARG A 42 8.985 -5.496 2.911 1.00 0.00 C ATOM 613 NE ARG A 42 8.895 -6.759 3.652 1.00 0.00 N ATOM 614 CZ ARG A 42 9.948 -7.413 4.141 1.00 0.00 C ATOM 615 NH1 ARG A 42 11.181 -6.974 3.898 1.00 0.00 N ATOM 616 NH2 ARG A 42 9.776 -8.523 4.849 1.00 0.00 N ATOM 0 H ARG A 42 6.832 -5.389 4.530 1.00 0.00 H new ATOM 0 HA ARG A 42 6.025 -3.805 2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.662 -6.737 2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.107 -6.113 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.443 -6.143 0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.073 -4.462 1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.014 -5.342 2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.734 -4.670 3.576 1.00 0.00 H new ATOM 0 HE ARG A 42 7.970 -7.161 3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.322 -6.135 3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.985 -7.477 4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.835 -8.878 5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.585 -9.021 5.222 1.00 0.00 H new ATOM 630 N SER A 43 4.008 -6.227 3.328 1.00 0.00 N ATOM 631 CA SER A 43 2.624 -6.669 3.365 1.00 0.00 C ATOM 632 C SER A 43 1.860 -5.947 4.469 1.00 0.00 C ATOM 633 O SER A 43 0.671 -5.676 4.331 1.00 0.00 O ATOM 634 CB SER A 43 2.567 -8.180 3.583 1.00 0.00 C ATOM 635 OG SER A 43 3.715 -8.809 3.038 1.00 0.00 O ATOM 0 H SER A 43 4.666 -6.863 3.779 1.00 0.00 H new ATOM 0 HA SER A 43 2.155 -6.429 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.499 -8.396 4.649 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.669 -8.586 3.118 1.00 0.00 H new ATOM 0 HG SER A 43 3.661 -9.776 3.189 1.00 0.00 H new ATOM 641 N GLU A 44 2.562 -5.634 5.557 1.00 0.00 N ATOM 642 CA GLU A 44 1.968 -4.940 6.698 1.00 0.00 C ATOM 643 C GLU A 44 1.373 -3.598 6.279 1.00 0.00 C ATOM 644 O GLU A 44 0.265 -3.248 6.688 1.00 0.00 O ATOM 645 CB GLU A 44 3.022 -4.730 7.789 1.00 0.00 C ATOM 646 CG GLU A 44 2.541 -3.889 8.958 1.00 0.00 C ATOM 647 CD GLU A 44 3.592 -3.728 10.033 1.00 0.00 C ATOM 648 OE1 GLU A 44 3.798 -4.687 10.807 1.00 0.00 O ATOM 649 OE2 GLU A 44 4.213 -2.644 10.113 1.00 0.00 O ATOM 0 H GLU A 44 3.552 -5.853 5.672 1.00 0.00 H new ATOM 0 HA GLU A 44 1.161 -5.559 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.343 -5.703 8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.897 -4.253 7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.245 -2.905 8.595 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.653 -4.350 9.390 1.00 0.00 H new ATOM 656 N LEU A 45 2.111 -2.865 5.449 1.00 0.00 N ATOM 657 CA LEU A 45 1.674 -1.560 4.967 1.00 0.00 C ATOM 658 C LEU A 45 0.327 -1.670 4.261 1.00 0.00 C ATOM 659 O LEU A 45 -0.571 -0.861 4.480 1.00 0.00 O ATOM 660 CB LEU A 45 2.714 -0.975 4.013 1.00 0.00 C ATOM 661 CG LEU A 45 2.518 0.499 3.657 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.809 1.385 4.861 1.00 0.00 C ATOM 663 CD2 LEU A 45 3.401 0.879 2.480 1.00 0.00 C ATOM 0 H LEU A 45 3.022 -3.157 5.095 1.00 0.00 H new ATOM 0 HA LEU A 45 1.564 -0.897 5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.701 -1.096 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.707 -1.558 3.092 1.00 0.00 H new ATOM 0 HG LEU A 45 1.478 0.652 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.664 2.430 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.132 1.126 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.839 1.234 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.251 1.931 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.446 0.712 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.140 0.267 1.617 1.00 0.00 H new ATOM 675 N VAL A 46 0.197 -2.674 3.407 1.00 0.00 N ATOM 676 CA VAL A 46 -1.044 -2.896 2.685 1.00 0.00 C ATOM 677 C VAL A 46 -2.111 -3.438 3.633 1.00 0.00 C ATOM 678 O VAL A 46 -3.255 -2.996 3.616 1.00 0.00 O ATOM 679 CB VAL A 46 -0.853 -3.888 1.517 1.00 0.00 C ATOM 680 CG1 VAL A 46 -2.101 -3.949 0.653 1.00 0.00 C ATOM 681 CG2 VAL A 46 0.354 -3.511 0.677 1.00 0.00 C ATOM 0 H VAL A 46 0.935 -3.346 3.198 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.361 -1.937 2.275 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.679 -4.876 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.944 -4.654 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.947 -4.277 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.309 -2.960 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.467 -4.225 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.214 -2.511 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.249 -3.526 1.299 1.00 0.00 H new ATOM 691 N ASN A 47 -1.698 -4.372 4.478 1.00 0.00 N ATOM 692 CA ASN A 47 -2.582 -5.030 5.438 1.00 0.00 C ATOM 693 C ASN A 47 -3.392 -4.037 6.270 1.00 0.00 C ATOM 694 O ASN A 47 -4.626 -4.061 6.246 1.00 0.00 O ATOM 695 CB ASN A 47 -1.761 -5.916 6.373 1.00 0.00 C ATOM 696 CG ASN A 47 -2.614 -6.905 7.140 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.551 -7.498 6.594 1.00 0.00 O ATOM 698 ND2 ASN A 47 -2.305 -7.075 8.415 1.00 0.00 N ATOM 0 H ASN A 47 -0.733 -4.699 4.519 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.287 -5.629 4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.016 -6.459 5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.218 -5.287 7.078 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.849 -7.718 8.990 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.522 -6.564 8.823 1.00 0.00 H new ATOM 705 N TRP A 48 -2.706 -3.157 6.996 1.00 0.00 N ATOM 706 CA TRP A 48 -3.396 -2.185 7.837 1.00 0.00 C ATOM 707 C TRP A 48 -4.181 -1.194 6.989 1.00 0.00 C ATOM 708 O TRP A 48 -5.231 -0.706 7.408 1.00 0.00 O ATOM 709 CB TRP A 48 -2.421 -1.457 8.781 1.00 0.00 C ATOM 710 CG TRP A 48 -1.647 -0.331 8.155 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.437 -0.418 7.537 1.00 0.00 C ATOM 712 CD2 TRP A 48 -2.024 1.053 8.105 1.00 0.00 C ATOM 713 NE1 TRP A 48 -0.047 0.817 7.085 1.00 0.00 N ATOM 714 CE2 TRP A 48 -1.002 1.737 7.425 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.126 1.777 8.562 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -1.052 3.108 7.193 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -3.175 3.137 8.330 1.00 0.00 C ATOM 718 CH2 TRP A 48 -2.144 3.790 7.649 1.00 0.00 C ATOM 0 H TRP A 48 -1.688 -3.097 7.019 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.103 -2.733 8.460 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.985 -1.063 9.627 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.715 -2.185 9.180 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.133 -1.328 7.420 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.815 1.017 6.578 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.928 1.281 9.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.255 3.615 6.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.024 3.705 8.680 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.212 4.855 7.480 1.00 0.00 H new ATOM 729 N TYR A 49 -3.687 -0.929 5.783 1.00 0.00 N ATOM 730 CA TYR A 49 -4.343 0.002 4.874 1.00 0.00 C ATOM 731 C TYR A 49 -5.734 -0.500 4.526 1.00 0.00 C ATOM 732 O TYR A 49 -6.725 0.221 4.658 1.00 0.00 O ATOM 733 CB TYR A 49 -3.523 0.169 3.591 1.00 0.00 C ATOM 734 CG TYR A 49 -3.966 1.336 2.733 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.037 2.618 3.265 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.312 1.160 1.394 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.438 3.689 2.494 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.713 2.228 0.619 1.00 0.00 C ATOM 739 CZ TYR A 49 -4.774 3.489 1.174 1.00 0.00 C ATOM 740 OH TYR A 49 -5.170 4.556 0.410 1.00 0.00 O ATOM 0 H TYR A 49 -2.833 -1.347 5.413 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.422 0.969 5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.474 0.302 3.855 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.591 -0.748 3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.774 2.778 4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.265 0.173 0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.488 4.679 2.923 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.978 2.078 -0.417 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.951 4.303 -0.125 1.00 0.00 H new ATOM 750 N LEU A 50 -5.798 -1.754 4.106 1.00 0.00 N ATOM 751 CA LEU A 50 -7.054 -2.375 3.726 1.00 0.00 C ATOM 752 C LEU A 50 -8.002 -2.442 4.908 1.00 0.00 C ATOM 753 O LEU A 50 -9.188 -2.189 4.765 1.00 0.00 O ATOM 754 CB LEU A 50 -6.806 -3.780 3.180 1.00 0.00 C ATOM 755 CG LEU A 50 -5.593 -3.903 2.268 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.320 -5.359 1.940 1.00 0.00 C ATOM 757 CD2 LEU A 50 -5.787 -3.081 1.003 1.00 0.00 C ATOM 0 H LEU A 50 -4.986 -2.365 4.020 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.512 -1.765 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.684 -4.465 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.691 -4.103 2.631 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.723 -3.508 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.450 -5.428 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.127 -5.910 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.186 -5.787 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.909 -3.182 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.667 -3.438 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.924 -2.033 1.268 1.00 0.00 H new ATOM 769 N LYS A 51 -7.472 -2.781 6.074 1.00 0.00 N ATOM 770 CA LYS A 51 -8.285 -2.889 7.282 1.00 0.00 C ATOM 771 C LYS A 51 -8.826 -1.530 7.727 1.00 0.00 C ATOM 772 O LYS A 51 -9.844 -1.452 8.415 1.00 0.00 O ATOM 773 CB LYS A 51 -7.468 -3.532 8.407 1.00 0.00 C ATOM 774 CG LYS A 51 -7.679 -5.033 8.527 1.00 0.00 C ATOM 775 CD LYS A 51 -7.463 -5.735 7.197 1.00 0.00 C ATOM 776 CE LYS A 51 -8.101 -7.112 7.179 1.00 0.00 C ATOM 777 NZ LYS A 51 -9.525 -7.076 7.610 1.00 0.00 N ATOM 0 H LYS A 51 -6.482 -2.987 6.212 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.142 -3.521 7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.410 -3.334 8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.732 -3.059 9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.992 -5.440 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.689 -5.232 8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.882 -5.129 6.394 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.394 -5.826 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.038 -7.527 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.541 -7.779 7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.072 -7.769 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.588 -7.309 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.912 -6.124 7.449 1.00 0.00 H new ATOM 791 N GLU A 52 -8.148 -0.465 7.332 1.00 0.00 N ATOM 792 CA GLU A 52 -8.565 0.884 7.701 1.00 0.00 C ATOM 793 C GLU A 52 -9.625 1.428 6.753 1.00 0.00 C ATOM 794 O GLU A 52 -10.546 2.129 7.170 1.00 0.00 O ATOM 795 CB GLU A 52 -7.369 1.834 7.714 1.00 0.00 C ATOM 796 CG GLU A 52 -6.467 1.679 8.925 1.00 0.00 C ATOM 797 CD GLU A 52 -7.198 1.890 10.231 1.00 0.00 C ATOM 798 OE1 GLU A 52 -7.440 3.058 10.601 1.00 0.00 O ATOM 799 OE2 GLU A 52 -7.529 0.888 10.897 1.00 0.00 O ATOM 0 H GLU A 52 -7.307 -0.505 6.756 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.995 0.821 8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.779 1.671 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.734 2.860 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.025 0.683 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.646 2.392 8.854 1.00 0.00 H new ATOM 806 N ILE A 53 -9.492 1.112 5.476 1.00 0.00 N ATOM 807 CA ILE A 53 -10.425 1.612 4.474 1.00 0.00 C ATOM 808 C ILE A 53 -11.546 0.626 4.166 1.00 0.00 C ATOM 809 O ILE A 53 -12.518 0.984 3.515 1.00 0.00 O ATOM 810 CB ILE A 53 -9.700 1.961 3.156 1.00 0.00 C ATOM 811 CG1 ILE A 53 -9.028 0.715 2.569 1.00 0.00 C ATOM 812 CG2 ILE A 53 -8.676 3.064 3.383 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.360 0.951 1.231 1.00 0.00 C ATOM 0 H ILE A 53 -8.752 0.515 5.107 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.865 2.510 4.907 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.440 2.323 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.284 0.349 3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.776 -0.070 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.176 3.295 2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.179 3.956 3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.939 2.731 4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.908 0.023 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.103 1.287 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.588 1.713 1.339 1.00 0.00 H new ATOM 825 N GLU A 54 -11.439 -0.598 4.654 1.00 0.00 N ATOM 826 CA GLU A 54 -12.451 -1.614 4.369 1.00 0.00 C ATOM 827 C GLU A 54 -13.845 -1.210 4.843 1.00 0.00 C ATOM 828 O GLU A 54 -14.845 -1.697 4.315 1.00 0.00 O ATOM 829 CB GLU A 54 -12.056 -2.956 4.972 1.00 0.00 C ATOM 830 CG GLU A 54 -12.147 -3.027 6.483 1.00 0.00 C ATOM 831 CD GLU A 54 -11.921 -4.436 6.988 1.00 0.00 C ATOM 832 OE1 GLU A 54 -10.837 -4.999 6.723 1.00 0.00 O ATOM 833 OE2 GLU A 54 -12.833 -4.994 7.633 1.00 0.00 O ATOM 0 H GLU A 54 -10.671 -0.916 5.245 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.497 -1.709 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.694 -3.731 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.033 -3.186 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.408 -2.358 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.127 -2.677 6.806 1.00 0.00 H new ATOM 840 N SER A 55 -13.917 -0.320 5.822 1.00 0.00 N ATOM 841 CA SER A 55 -15.201 0.133 6.332 1.00 0.00 C ATOM 842 C SER A 55 -15.841 1.132 5.370 1.00 0.00 C ATOM 843 O SER A 55 -17.066 1.231 5.288 1.00 0.00 O ATOM 844 CB SER A 55 -15.028 0.751 7.717 1.00 0.00 C ATOM 845 OG SER A 55 -14.245 -0.094 8.544 1.00 0.00 O ATOM 0 H SER A 55 -13.106 0.100 6.276 1.00 0.00 H new ATOM 0 HA SER A 55 -15.865 -0.727 6.416 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.551 1.727 7.629 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.004 0.913 8.174 1.00 0.00 H new ATOM 0 HG SER A 55 -14.142 0.317 9.428 1.00 0.00 H new ATOM 851 N GLU A 56 -15.010 1.853 4.619 1.00 0.00 N ATOM 852 CA GLU A 56 -15.512 2.834 3.667 1.00 0.00 C ATOM 853 C GLU A 56 -15.643 2.190 2.295 1.00 0.00 C ATOM 854 O GLU A 56 -16.386 2.665 1.432 1.00 0.00 O ATOM 855 CB GLU A 56 -14.610 4.077 3.616 1.00 0.00 C ATOM 856 CG GLU A 56 -13.232 3.834 3.025 1.00 0.00 C ATOM 857 CD GLU A 56 -12.189 4.784 3.578 1.00 0.00 C ATOM 858 OE1 GLU A 56 -12.028 4.841 4.815 1.00 0.00 O ATOM 859 OE2 GLU A 56 -11.520 5.476 2.782 1.00 0.00 O ATOM 0 H GLU A 56 -13.994 1.775 4.653 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.496 3.169 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.110 4.849 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.494 4.467 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.928 2.807 3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.280 3.943 1.942 1.00 0.00 H new ATOM 866 N ILE A 57 -14.914 1.102 2.103 1.00 0.00 N ATOM 867 CA ILE A 57 -14.965 0.358 0.860 1.00 0.00 C ATOM 868 C ILE A 57 -16.185 -0.552 0.869 1.00 0.00 C ATOM 869 O ILE A 57 -16.127 -1.695 1.337 1.00 0.00 O ATOM 870 CB ILE A 57 -13.698 -0.495 0.644 1.00 0.00 C ATOM 871 CG1 ILE A 57 -12.440 0.380 0.640 1.00 0.00 C ATOM 872 CG2 ILE A 57 -13.800 -1.281 -0.651 1.00 0.00 C ATOM 873 CD1 ILE A 57 -12.529 1.577 -0.281 1.00 0.00 C ATOM 0 H ILE A 57 -14.277 0.715 2.799 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.027 1.078 0.044 1.00 0.00 H new ATOM 0 HB ILE A 57 -13.620 -1.198 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.248 0.728 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.586 -0.230 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.898 -1.877 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -14.667 -1.940 -0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.909 -0.591 -1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.601 2.146 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.689 1.238 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.361 2.211 0.025 1.00 0.00 H new ATOM 885 N ASP A 58 -17.287 -0.041 0.355 1.00 0.00 N ATOM 886 CA ASP A 58 -18.532 -0.801 0.325 1.00 0.00 C ATOM 887 C ASP A 58 -18.683 -1.521 -0.998 1.00 0.00 C ATOM 888 O ASP A 58 -19.595 -2.328 -1.185 1.00 0.00 O ATOM 889 CB ASP A 58 -19.732 0.112 0.579 1.00 0.00 C ATOM 890 CG ASP A 58 -19.826 0.546 2.026 1.00 0.00 C ATOM 891 OD1 ASP A 58 -19.459 -0.250 2.914 1.00 0.00 O ATOM 892 OD2 ASP A 58 -20.259 1.692 2.283 1.00 0.00 O ATOM 0 H ASP A 58 -17.351 0.894 -0.048 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.496 -1.545 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.657 0.993 -0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.648 -0.408 0.298 1.00 0.00 H new ATOM 897 N SER A 59 -17.778 -1.226 -1.914 1.00 0.00 N ATOM 898 CA SER A 59 -17.785 -1.846 -3.220 1.00 0.00 C ATOM 899 C SER A 59 -16.496 -2.632 -3.427 1.00 0.00 C ATOM 900 O SER A 59 -15.404 -2.146 -3.119 1.00 0.00 O ATOM 901 CB SER A 59 -17.944 -0.776 -4.302 1.00 0.00 C ATOM 902 OG SER A 59 -17.324 0.438 -3.905 1.00 0.00 O ATOM 0 H SER A 59 -17.024 -0.554 -1.772 1.00 0.00 H new ATOM 0 HA SER A 59 -18.626 -2.536 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.503 -1.127 -5.235 1.00 0.00 H new ATOM 0 HB3 SER A 59 -19.003 -0.603 -4.496 1.00 0.00 H new ATOM 0 HG SER A 59 -17.435 1.108 -4.611 1.00 0.00 H new ATOM 908 N GLU A 60 -16.629 -3.854 -3.918 1.00 0.00 N ATOM 909 CA GLU A 60 -15.483 -4.718 -4.180 1.00 0.00 C ATOM 910 C GLU A 60 -14.508 -4.015 -5.120 1.00 0.00 C ATOM 911 O GLU A 60 -13.289 -4.105 -4.956 1.00 0.00 O ATOM 912 CB GLU A 60 -15.975 -6.032 -4.793 1.00 0.00 C ATOM 913 CG GLU A 60 -14.882 -7.053 -5.046 1.00 0.00 C ATOM 914 CD GLU A 60 -15.385 -8.285 -5.774 1.00 0.00 C ATOM 915 OE1 GLU A 60 -16.330 -8.163 -6.587 1.00 0.00 O ATOM 916 OE2 GLU A 60 -14.836 -9.382 -5.541 1.00 0.00 O ATOM 0 H GLU A 60 -17.529 -4.276 -4.146 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.962 -4.935 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.720 -6.472 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.477 -5.814 -5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.087 -6.590 -5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.444 -7.353 -4.094 1.00 0.00 H new ATOM 923 N GLU A 61 -15.074 -3.291 -6.080 1.00 0.00 N ATOM 924 CA GLU A 61 -14.306 -2.542 -7.070 1.00 0.00 C ATOM 925 C GLU A 61 -13.295 -1.620 -6.400 1.00 0.00 C ATOM 926 O GLU A 61 -12.122 -1.598 -6.774 1.00 0.00 O ATOM 927 CB GLU A 61 -15.244 -1.706 -7.949 1.00 0.00 C ATOM 928 CG GLU A 61 -16.358 -2.509 -8.599 1.00 0.00 C ATOM 929 CD GLU A 61 -17.596 -2.599 -7.729 1.00 0.00 C ATOM 930 OE1 GLU A 61 -17.643 -3.481 -6.850 1.00 0.00 O ATOM 931 OE2 GLU A 61 -18.530 -1.793 -7.927 1.00 0.00 O ATOM 0 H GLU A 61 -16.084 -3.206 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.769 -3.263 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.686 -0.916 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.658 -1.220 -8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.621 -2.052 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.997 -3.514 -8.816 1.00 0.00 H new ATOM 938 N GLU A 62 -13.766 -0.863 -5.411 1.00 0.00 N ATOM 939 CA GLU A 62 -12.922 0.065 -4.672 1.00 0.00 C ATOM 940 C GLU A 62 -11.725 -0.637 -4.065 1.00 0.00 C ATOM 941 O GLU A 62 -10.588 -0.204 -4.233 1.00 0.00 O ATOM 942 CB GLU A 62 -13.724 0.715 -3.555 1.00 0.00 C ATOM 943 CG GLU A 62 -14.352 2.020 -3.955 1.00 0.00 C ATOM 944 CD GLU A 62 -13.323 3.112 -4.182 1.00 0.00 C ATOM 945 OE1 GLU A 62 -12.267 3.098 -3.513 1.00 0.00 O ATOM 946 OE2 GLU A 62 -13.558 3.987 -5.043 1.00 0.00 O ATOM 0 H GLU A 62 -14.738 -0.877 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.567 0.819 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.506 0.028 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.071 0.882 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.932 1.876 -4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.049 2.337 -3.180 1.00 0.00 H new ATOM 953 N LEU A 63 -11.998 -1.721 -3.360 1.00 0.00 N ATOM 954 CA LEU A 63 -10.954 -2.495 -2.702 1.00 0.00 C ATOM 955 C LEU A 63 -9.935 -3.007 -3.704 1.00 0.00 C ATOM 956 O LEU A 63 -8.735 -2.865 -3.495 1.00 0.00 O ATOM 957 CB LEU A 63 -11.563 -3.658 -1.919 1.00 0.00 C ATOM 958 CG LEU A 63 -10.758 -4.113 -0.701 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.357 -2.923 0.157 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.563 -5.107 0.114 1.00 0.00 C ATOM 0 H LEU A 63 -12.940 -2.089 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.438 -1.836 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.561 -3.370 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.683 -4.506 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.848 -4.600 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.785 -3.271 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.746 -2.239 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.252 -2.405 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.981 -5.425 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.487 -4.637 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.801 -5.974 -0.502 1.00 0.00 H new ATOM 972 N ILE A 64 -10.418 -3.598 -4.788 1.00 0.00 N ATOM 973 CA ILE A 64 -9.535 -4.113 -5.830 1.00 0.00 C ATOM 974 C ILE A 64 -8.665 -2.988 -6.392 1.00 0.00 C ATOM 975 O ILE A 64 -7.473 -3.169 -6.636 1.00 0.00 O ATOM 976 CB ILE A 64 -10.339 -4.792 -6.964 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.100 -5.994 -6.400 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.420 -5.228 -8.100 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.316 -6.391 -7.204 1.00 0.00 C ATOM 0 H ILE A 64 -11.412 -3.733 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.889 -4.868 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.050 -4.072 -7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.422 -6.845 -6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.411 -5.767 -5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.010 -5.702 -8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.908 -4.357 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.684 -5.937 -7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.797 -7.250 -6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.017 -5.557 -7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.012 -6.653 -8.218 1.00 0.00 H new ATOM 991 N ASN A 65 -9.267 -1.815 -6.553 1.00 0.00 N ATOM 992 CA ASN A 65 -8.563 -0.647 -7.069 1.00 0.00 C ATOM 993 C ASN A 65 -7.532 -0.143 -6.056 1.00 0.00 C ATOM 994 O ASN A 65 -6.376 0.096 -6.399 1.00 0.00 O ATOM 995 CB ASN A 65 -9.568 0.468 -7.401 1.00 0.00 C ATOM 996 CG ASN A 65 -8.931 1.847 -7.448 1.00 0.00 C ATOM 997 OD1 ASN A 65 -8.408 2.270 -8.479 1.00 0.00 O ATOM 998 ND2 ASN A 65 -8.998 2.567 -6.335 1.00 0.00 N ATOM 0 H ASN A 65 -10.248 -1.647 -6.332 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.036 -0.935 -7.979 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.033 0.256 -8.364 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.363 0.466 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.607 3.509 -6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.440 2.178 -5.502 1.00 0.00 H new ATOM 1005 N LYS A 66 -7.961 0.004 -4.803 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.087 0.487 -3.732 1.00 0.00 C ATOM 1007 C LYS A 66 -5.887 -0.437 -3.551 1.00 0.00 C ATOM 1008 O LYS A 66 -4.761 0.031 -3.380 1.00 0.00 O ATOM 1009 CB LYS A 66 -7.868 0.617 -2.420 1.00 0.00 C ATOM 1010 CG LYS A 66 -8.857 1.775 -2.417 1.00 0.00 C ATOM 1011 CD LYS A 66 -8.159 3.114 -2.227 1.00 0.00 C ATOM 1012 CE LYS A 66 -8.942 4.258 -2.865 1.00 0.00 C ATOM 1013 NZ LYS A 66 -10.318 4.395 -2.308 1.00 0.00 N ATOM 0 H LYS A 66 -8.913 -0.205 -4.503 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.717 1.473 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.407 -0.312 -2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.164 0.748 -1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.410 1.783 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.586 1.629 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.032 3.310 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.161 3.069 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.400 5.192 -2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.005 4.094 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.517 5.398 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.008 4.030 -2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.390 3.853 -1.424 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.132 -1.747 -3.602 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.062 -2.732 -3.455 1.00 0.00 C ATOM 1029 C LYS A 67 -4.129 -2.684 -4.654 1.00 0.00 C ATOM 1030 O LYS A 67 -2.921 -2.866 -4.520 1.00 0.00 O ATOM 1031 CB LYS A 67 -5.632 -4.142 -3.277 1.00 0.00 C ATOM 1032 CG LYS A 67 -6.509 -4.271 -2.048 1.00 0.00 C ATOM 1033 CD LYS A 67 -6.805 -5.716 -1.710 1.00 0.00 C ATOM 1034 CE LYS A 67 -7.720 -5.807 -0.503 1.00 0.00 C ATOM 1035 NZ LYS A 67 -7.915 -7.204 -0.044 1.00 0.00 N ATOM 0 H LYS A 67 -7.059 -2.149 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.494 -2.482 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.212 -4.409 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.810 -4.855 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.017 -3.794 -1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.446 -3.739 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.272 -6.206 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.874 -6.246 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.302 -5.215 0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.688 -5.371 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.918 -7.358 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.626 -7.860 -0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.338 -7.375 0.804 1.00 0.00 H new ATOM 1049 N ARG A 68 -4.694 -2.426 -5.824 1.00 0.00 N ATOM 1050 CA ARG A 68 -3.909 -2.336 -7.040 1.00 0.00 C ATOM 1051 C ARG A 68 -2.958 -1.151 -6.959 1.00 0.00 C ATOM 1052 O ARG A 68 -1.771 -1.272 -7.252 1.00 0.00 O ATOM 1053 CB ARG A 68 -4.825 -2.177 -8.250 1.00 0.00 C ATOM 1054 CG ARG A 68 -4.087 -2.157 -9.575 1.00 0.00 C ATOM 1055 CD ARG A 68 -4.992 -1.701 -10.704 1.00 0.00 C ATOM 1056 NE ARG A 68 -4.498 -2.130 -12.008 1.00 0.00 N ATOM 1057 CZ ARG A 68 -5.144 -1.913 -13.150 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -6.251 -1.180 -13.156 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -4.669 -2.400 -14.288 1.00 0.00 N ATOM 0 H ARG A 68 -5.694 -2.276 -5.954 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.331 -3.254 -7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.546 -2.994 -8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.392 -1.252 -8.146 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.227 -1.491 -9.504 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.702 -3.153 -9.794 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.995 -2.098 -10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.073 -0.614 -10.687 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.607 -2.624 -12.046 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.605 -0.784 -12.285 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.747 -1.013 -14.031 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.806 -2.943 -14.289 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.167 -2.232 -15.162 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.492 -0.012 -6.540 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.705 1.205 -6.425 1.00 0.00 C ATOM 1075 C ILE A 69 -1.654 1.079 -5.328 1.00 0.00 C ATOM 1076 O ILE A 69 -0.486 1.376 -5.561 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.595 2.439 -6.154 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.681 2.560 -7.228 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.756 3.711 -6.104 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -4.142 2.722 -8.637 1.00 0.00 C ATOM 0 H ILE A 69 -4.471 0.093 -6.273 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.203 1.347 -7.382 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.075 2.307 -5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.313 1.673 -7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.316 3.414 -6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.403 4.567 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.018 3.629 -5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.246 3.848 -7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.973 2.801 -9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.534 3.625 -8.692 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.531 1.857 -8.895 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.056 0.614 -4.144 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.118 0.474 -3.030 1.00 0.00 C ATOM 1094 C ILE A 70 0.038 -0.464 -3.396 1.00 0.00 C ATOM 1095 O ILE A 70 1.198 -0.174 -3.100 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.813 0.002 -1.720 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.853 0.104 -0.534 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.341 -1.417 -1.838 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.414 1.518 -0.229 1.00 0.00 C ATOM 0 H ILE A 70 -3.013 0.331 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.713 1.468 -2.838 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.664 0.663 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.334 -0.316 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.028 -0.505 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.818 -1.707 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.069 -1.468 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.515 -2.096 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.265 1.512 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.097 1.936 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.287 2.127 0.006 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.277 -1.565 -4.074 1.00 0.00 N ATOM 1112 CA GLU A 71 0.734 -2.526 -4.488 1.00 0.00 C ATOM 1113 C GLU A 71 1.630 -1.916 -5.563 1.00 0.00 C ATOM 1114 O GLU A 71 2.859 -2.012 -5.496 1.00 0.00 O ATOM 1115 CB GLU A 71 0.071 -3.801 -5.013 1.00 0.00 C ATOM 1116 CG GLU A 71 1.058 -4.868 -5.455 1.00 0.00 C ATOM 1117 CD GLU A 71 1.817 -5.484 -4.297 1.00 0.00 C ATOM 1118 OE1 GLU A 71 1.321 -6.473 -3.714 1.00 0.00 O ATOM 1119 OE2 GLU A 71 2.921 -5.000 -3.981 1.00 0.00 O ATOM 0 H GLU A 71 -1.228 -1.811 -4.348 1.00 0.00 H new ATOM 0 HA GLU A 71 1.347 -2.783 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.570 -4.213 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.573 -3.545 -5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.522 -5.652 -5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.768 -4.431 -6.157 1.00 0.00 H new ATOM 1126 N LYS A 72 1.006 -1.269 -6.547 1.00 0.00 N ATOM 1127 CA LYS A 72 1.741 -0.636 -7.636 1.00 0.00 C ATOM 1128 C LYS A 72 2.663 0.454 -7.112 1.00 0.00 C ATOM 1129 O LYS A 72 3.783 0.612 -7.600 1.00 0.00 O ATOM 1130 CB LYS A 72 0.784 -0.036 -8.666 1.00 0.00 C ATOM 1131 CG LYS A 72 0.373 -1.010 -9.754 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.479 -0.334 -10.817 1.00 0.00 C ATOM 1133 CE LYS A 72 0.300 0.740 -11.567 1.00 0.00 C ATOM 1134 NZ LYS A 72 1.518 0.196 -12.225 1.00 0.00 N ATOM 0 H LYS A 72 -0.007 -1.171 -6.610 1.00 0.00 H new ATOM 0 HA LYS A 72 2.341 -1.410 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.109 0.322 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.257 0.832 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.263 -1.436 -10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.183 -1.837 -9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.840 -1.082 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.357 0.113 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.344 1.195 -12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.587 1.530 -10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.883 0.890 -12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.244 0.003 -11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.280 -0.686 -12.722 1.00 0.00 H new ATOM 1148 N VAL A 73 2.187 1.208 -6.127 1.00 0.00 N ATOM 1149 CA VAL A 73 2.978 2.279 -5.540 1.00 0.00 C ATOM 1150 C VAL A 73 4.196 1.714 -4.824 1.00 0.00 C ATOM 1151 O VAL A 73 5.304 2.199 -5.017 1.00 0.00 O ATOM 1152 CB VAL A 73 2.145 3.150 -4.570 1.00 0.00 C ATOM 1153 CG1 VAL A 73 3.038 4.040 -3.707 1.00 0.00 C ATOM 1154 CG2 VAL A 73 1.151 3.995 -5.351 1.00 0.00 C ATOM 0 H VAL A 73 1.258 1.096 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 73 3.309 2.920 -6.357 1.00 0.00 H new ATOM 0 HB VAL A 73 1.601 2.483 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.419 4.637 -3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.712 3.418 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.622 4.701 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.569 4.605 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.689 4.644 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.481 3.343 -5.912 1.00 0.00 H new ATOM 1164 N ILE A 74 3.992 0.679 -4.017 1.00 0.00 N ATOM 1165 CA ILE A 74 5.096 0.052 -3.295 1.00 0.00 C ATOM 1166 C ILE A 74 6.109 -0.527 -4.280 1.00 0.00 C ATOM 1167 O ILE A 74 7.321 -0.373 -4.109 1.00 0.00 O ATOM 1168 CB ILE A 74 4.601 -1.057 -2.341 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.709 -0.454 -1.255 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.779 -1.792 -1.711 1.00 0.00 C ATOM 1171 CD1 ILE A 74 2.963 -1.487 -0.440 1.00 0.00 C ATOM 0 H ILE A 74 3.079 0.257 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 74 5.573 0.824 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 74 4.019 -1.776 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.323 0.150 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.989 0.219 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.408 -2.569 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.385 -2.247 -2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.387 -1.087 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.351 -0.986 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.322 -2.075 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.677 -2.145 0.055 1.00 0.00 H new ATOM 1183 N HIS A 75 5.599 -1.178 -5.322 1.00 0.00 N ATOM 1184 CA HIS A 75 6.447 -1.767 -6.354 1.00 0.00 C ATOM 1185 C HIS A 75 7.235 -0.674 -7.079 1.00 0.00 C ATOM 1186 O HIS A 75 8.413 -0.843 -7.394 1.00 0.00 O ATOM 1187 CB HIS A 75 5.596 -2.567 -7.350 1.00 0.00 C ATOM 1188 CG HIS A 75 6.348 -3.036 -8.560 1.00 0.00 C ATOM 1189 ND1 HIS A 75 7.461 -3.846 -8.497 1.00 0.00 N ATOM 1190 CD2 HIS A 75 6.135 -2.796 -9.876 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.899 -4.083 -9.721 1.00 0.00 C ATOM 1192 NE2 HIS A 75 7.112 -3.458 -10.574 1.00 0.00 N ATOM 0 H HIS A 75 4.599 -1.311 -5.474 1.00 0.00 H new ATOM 0 HA HIS A 75 7.154 -2.447 -5.880 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.176 -3.433 -6.839 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.758 -1.950 -7.673 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.343 -2.195 -10.297 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.757 -4.687 -9.979 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.213 -3.466 -11.589 1.00 0.00 H new ATOM 1201 N ARG A 76 6.571 0.442 -7.339 1.00 0.00 N ATOM 1202 CA ARG A 76 7.198 1.569 -8.011 1.00 0.00 C ATOM 1203 C ARG A 76 8.208 2.232 -7.077 1.00 0.00 C ATOM 1204 O ARG A 76 9.318 2.574 -7.481 1.00 0.00 O ATOM 1205 CB ARG A 76 6.127 2.573 -8.439 1.00 0.00 C ATOM 1206 CG ARG A 76 6.668 3.767 -9.201 1.00 0.00 C ATOM 1207 CD ARG A 76 5.602 4.832 -9.380 1.00 0.00 C ATOM 1208 NE ARG A 76 5.149 5.369 -8.099 1.00 0.00 N ATOM 1209 CZ ARG A 76 3.867 5.501 -7.755 1.00 0.00 C ATOM 1210 NH1 ARG A 76 2.911 5.060 -8.567 1.00 0.00 N ATOM 1211 NH2 ARG A 76 3.544 6.040 -6.584 1.00 0.00 N ATOM 0 H ARG A 76 5.592 0.591 -7.093 1.00 0.00 H new ATOM 0 HA ARG A 76 7.724 1.216 -8.898 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.392 2.061 -9.060 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.602 2.929 -7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.520 4.187 -8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.032 3.445 -10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.997 5.641 -9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.753 4.409 -9.917 1.00 0.00 H new ATOM 0 HE ARG A 76 5.857 5.661 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.158 4.620 -9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.931 5.161 -8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.277 6.353 -5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.563 6.140 -6.322 1.00 0.00 H new ATOM 1225 N LEU A 77 7.807 2.377 -5.824 1.00 0.00 N ATOM 1226 CA LEU A 77 8.629 2.983 -4.784 1.00 0.00 C ATOM 1227 C LEU A 77 9.971 2.266 -4.650 1.00 0.00 C ATOM 1228 O LEU A 77 11.020 2.900 -4.494 1.00 0.00 O ATOM 1229 CB LEU A 77 7.864 2.920 -3.457 1.00 0.00 C ATOM 1230 CG LEU A 77 8.388 3.807 -2.330 1.00 0.00 C ATOM 1231 CD1 LEU A 77 7.232 4.290 -1.471 1.00 0.00 C ATOM 1232 CD2 LEU A 77 9.392 3.051 -1.477 1.00 0.00 C ATOM 0 H LEU A 77 6.890 2.074 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 77 8.835 4.019 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.825 3.188 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.868 1.887 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 77 8.890 4.668 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.614 4.922 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.537 4.863 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.715 3.432 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.754 3.700 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.913 2.174 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.231 2.735 -2.097 1.00 0.00 H new ATOM 1244 N THR A 78 9.930 0.945 -4.747 1.00 0.00 N ATOM 1245 CA THR A 78 11.123 0.127 -4.607 1.00 0.00 C ATOM 1246 C THR A 78 11.875 -0.052 -5.927 1.00 0.00 C ATOM 1247 O THR A 78 12.877 -0.766 -5.972 1.00 0.00 O ATOM 1248 CB THR A 78 10.760 -1.264 -4.047 1.00 0.00 C ATOM 1249 OG1 THR A 78 9.554 -1.738 -4.662 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.578 -1.212 -2.537 1.00 0.00 C ATOM 0 H THR A 78 9.076 0.415 -4.923 1.00 0.00 H new ATOM 0 HA THR A 78 11.778 0.656 -3.915 1.00 0.00 H new ATOM 0 HB THR A 78 11.579 -1.947 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.780 -1.334 -4.217 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.323 -2.205 -2.167 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.505 -0.878 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.776 -0.516 -2.291 1.00 0.00 H new ATOM 1258 N HIS A 79 11.413 0.591 -6.995 1.00 0.00 N ATOM 1259 CA HIS A 79 12.074 0.447 -8.289 1.00 0.00 C ATOM 1260 C HIS A 79 12.115 1.755 -9.073 1.00 0.00 C ATOM 1261 O HIS A 79 13.117 2.467 -9.051 1.00 0.00 O ATOM 1262 CB HIS A 79 11.383 -0.632 -9.128 1.00 0.00 C ATOM 1263 CG HIS A 79 11.814 -2.026 -8.790 1.00 0.00 C ATOM 1264 ND1 HIS A 79 12.925 -2.623 -9.343 1.00 0.00 N ATOM 1265 CD2 HIS A 79 11.281 -2.940 -7.944 1.00 0.00 C ATOM 1266 CE1 HIS A 79 13.056 -3.841 -8.854 1.00 0.00 C ATOM 1267 NE2 HIS A 79 12.074 -4.057 -8.003 1.00 0.00 N ATOM 0 H HIS A 79 10.599 1.206 -6.993 1.00 0.00 H new ATOM 0 HA HIS A 79 13.103 0.152 -8.083 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.305 -0.551 -8.991 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.585 -0.444 -10.183 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.397 -2.813 -7.337 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.837 -4.543 -9.108 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.927 -4.916 -7.473 1.00 0.00 H new ATOM 1276 N TYR A 80 11.015 2.064 -9.756 1.00 0.00 N ATOM 1277 CA TYR A 80 10.916 3.271 -10.579 1.00 0.00 C ATOM 1278 C TYR A 80 11.217 4.541 -9.787 1.00 0.00 C ATOM 1279 O TYR A 80 12.042 5.358 -10.201 1.00 0.00 O ATOM 1280 CB TYR A 80 9.522 3.377 -11.197 1.00 0.00 C ATOM 1281 CG TYR A 80 9.083 2.141 -11.947 1.00 0.00 C ATOM 1282 CD1 TYR A 80 9.538 1.886 -13.233 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.202 1.237 -11.371 1.00 0.00 C ATOM 1284 CE1 TYR A 80 9.126 0.764 -13.924 1.00 0.00 C ATOM 1285 CE2 TYR A 80 7.788 0.111 -12.054 1.00 0.00 C ATOM 1286 CZ TYR A 80 8.251 -0.120 -13.329 1.00 0.00 C ATOM 1287 OH TYR A 80 7.829 -1.234 -14.014 1.00 0.00 O ATOM 0 H TYR A 80 10.172 1.490 -9.756 1.00 0.00 H new ATOM 0 HA TYR A 80 11.667 3.182 -11.364 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.801 3.584 -10.406 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.502 4.228 -11.878 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.225 2.576 -13.700 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.834 1.417 -10.372 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.487 0.580 -14.925 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.104 -0.585 -11.590 1.00 0.00 H new ATOM 0 HH TYR A 80 7.216 -1.752 -13.451 1.00 0.00 H new ATOM 1297 N ASP A 81 10.539 4.712 -8.656 1.00 0.00 N ATOM 1298 CA ASP A 81 10.741 5.890 -7.814 1.00 0.00 C ATOM 1299 C ASP A 81 12.116 5.836 -7.169 1.00 0.00 C ATOM 1300 O ASP A 81 12.797 6.853 -7.051 1.00 0.00 O ATOM 1301 CB ASP A 81 9.659 5.987 -6.730 1.00 0.00 C ATOM 1302 CG ASP A 81 8.348 6.562 -7.241 1.00 0.00 C ATOM 1303 OD1 ASP A 81 8.376 7.397 -8.170 1.00 0.00 O ATOM 1304 OD2 ASP A 81 7.282 6.182 -6.708 1.00 0.00 O ATOM 0 H ASP A 81 9.846 4.053 -8.301 1.00 0.00 H new ATOM 0 HA ASP A 81 10.671 6.776 -8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.477 4.994 -6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.027 6.608 -5.913 1.00 0.00 H new ATOM 1309 N HIS A 82 12.510 4.632 -6.753 1.00 0.00 N ATOM 1310 CA HIS A 82 13.809 4.396 -6.124 1.00 0.00 C ATOM 1311 C HIS A 82 13.985 5.279 -4.890 1.00 0.00 C ATOM 1312 O HIS A 82 15.067 5.801 -4.628 1.00 0.00 O ATOM 1313 CB HIS A 82 14.951 4.634 -7.124 1.00 0.00 C ATOM 1314 CG HIS A 82 16.214 3.908 -6.775 1.00 0.00 C ATOM 1315 ND1 HIS A 82 17.337 4.535 -6.283 1.00 0.00 N ATOM 1316 CD2 HIS A 82 16.525 2.593 -6.853 1.00 0.00 C ATOM 1317 CE1 HIS A 82 18.282 3.639 -6.072 1.00 0.00 C ATOM 1318 NE2 HIS A 82 17.816 2.450 -6.409 1.00 0.00 N ATOM 0 H HIS A 82 11.937 3.793 -6.843 1.00 0.00 H new ATOM 0 HA HIS A 82 13.844 3.354 -5.806 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.625 4.322 -8.116 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.159 5.703 -7.178 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.877 1.802 -7.201 1.00 0.00 H new ATOM 0 HE1 HIS A 82 19.271 3.843 -5.688 1.00 0.00 H new ATOM 0 HE2 HIS A 82 18.330 1.571 -6.349 1.00 0.00 H new ATOM 1327 N VAL A 83 12.910 5.430 -4.133 1.00 0.00 N ATOM 1328 CA VAL A 83 12.939 6.239 -2.921 1.00 0.00 C ATOM 1329 C VAL A 83 12.991 5.337 -1.698 1.00 0.00 C ATOM 1330 O VAL A 83 12.806 5.779 -0.564 1.00 0.00 O ATOM 1331 CB VAL A 83 11.717 7.175 -2.825 1.00 0.00 C ATOM 1332 CG1 VAL A 83 11.848 8.333 -3.804 1.00 0.00 C ATOM 1333 CG2 VAL A 83 10.431 6.407 -3.075 1.00 0.00 C ATOM 0 H VAL A 83 12.006 5.004 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 83 13.833 6.861 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 83 11.680 7.583 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.976 8.981 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.748 8.904 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.915 7.945 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.582 7.086 -3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.459 5.966 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.328 5.617 -2.331 1.00 0.00 H new ATOM 1343 N LEU A 84 13.240 4.062 -1.949 1.00 0.00 N ATOM 1344 CA LEU A 84 13.334 3.074 -0.891 1.00 0.00 C ATOM 1345 C LEU A 84 14.779 2.956 -0.417 1.00 0.00 C ATOM 1346 O LEU A 84 15.709 3.287 -1.152 1.00 0.00 O ATOM 1347 CB LEU A 84 12.756 1.712 -1.358 1.00 0.00 C ATOM 1348 CG LEU A 84 13.596 0.833 -2.316 1.00 0.00 C ATOM 1349 CD1 LEU A 84 14.266 1.644 -3.417 1.00 0.00 C ATOM 1350 CD2 LEU A 84 14.616 0.004 -1.549 1.00 0.00 C ATOM 0 H LEU A 84 13.382 3.686 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 84 12.732 3.398 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.545 1.120 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.800 1.909 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 84 12.900 0.152 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.842 0.978 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.505 2.152 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.931 2.383 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.191 -0.603 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.289 0.667 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.099 -0.647 -0.843 1.00 0.00 H new ATOM 1362 N ILE A 85 14.961 2.513 0.812 1.00 0.00 N ATOM 1363 CA ILE A 85 16.287 2.359 1.387 1.00 0.00 C ATOM 1364 C ILE A 85 16.470 0.956 1.966 1.00 0.00 C ATOM 1365 O ILE A 85 15.569 0.416 2.612 1.00 0.00 O ATOM 1366 CB ILE A 85 16.544 3.403 2.501 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.199 4.811 2.011 1.00 0.00 C ATOM 1368 CG2 ILE A 85 17.993 3.346 2.965 1.00 0.00 C ATOM 1369 CD1 ILE A 85 15.155 5.504 2.861 1.00 0.00 C ATOM 0 H ILE A 85 14.200 2.251 1.438 1.00 0.00 H new ATOM 0 HA ILE A 85 17.005 2.516 0.582 1.00 0.00 H new ATOM 0 HB ILE A 85 15.899 3.163 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.106 5.416 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.840 4.752 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.154 4.087 3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.211 2.352 3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.653 3.558 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 85 14.958 6.497 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.234 4.920 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.520 5.594 3.884 1.00 0.00 H new ATOM 1381 N GLU A 86 17.624 0.365 1.696 1.00 0.00 N ATOM 1382 CA GLU A 86 17.959 -0.958 2.199 1.00 0.00 C ATOM 1383 C GLU A 86 19.364 -0.931 2.791 1.00 0.00 C ATOM 1384 O GLU A 86 20.235 -0.211 2.298 1.00 0.00 O ATOM 1385 CB GLU A 86 17.864 -2.019 1.094 1.00 0.00 C ATOM 1386 CG GLU A 86 17.560 -1.468 -0.296 1.00 0.00 C ATOM 1387 CD GLU A 86 18.734 -0.744 -0.928 1.00 0.00 C ATOM 1388 OE1 GLU A 86 19.564 -1.402 -1.586 1.00 0.00 O ATOM 1389 OE2 GLU A 86 18.832 0.492 -0.779 1.00 0.00 O ATOM 0 H GLU A 86 18.354 0.789 1.123 1.00 0.00 H new ATOM 0 HA GLU A 86 17.240 -1.228 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.805 -2.568 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.088 -2.736 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.257 -2.289 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.714 -0.784 -0.230 1.00 0.00 H new ATOM 1672 N TYR A 107 16.071 -5.574 4.838 1.00 0.00 N ATOM 1673 CA TYR A 107 15.593 -4.334 5.428 1.00 0.00 C ATOM 1674 C TYR A 107 14.932 -3.469 4.371 1.00 0.00 C ATOM 1675 O TYR A 107 15.472 -3.290 3.282 1.00 0.00 O ATOM 1676 CB TYR A 107 16.751 -3.584 6.087 1.00 0.00 C ATOM 1677 CG TYR A 107 17.322 -4.308 7.283 1.00 0.00 C ATOM 1678 CD1 TYR A 107 16.799 -4.103 8.550 1.00 0.00 C ATOM 1679 CD2 TYR A 107 18.372 -5.206 7.144 1.00 0.00 C ATOM 1680 CE1 TYR A 107 17.303 -4.772 9.646 1.00 0.00 C ATOM 1681 CE2 TYR A 107 18.885 -5.879 8.236 1.00 0.00 C ATOM 1682 CZ TYR A 107 18.344 -5.658 9.486 1.00 0.00 C ATOM 1683 OH TYR A 107 18.838 -6.330 10.577 1.00 0.00 O ATOM 0 HA TYR A 107 14.853 -4.571 6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 107 17.541 -3.430 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 107 16.407 -2.597 6.397 1.00 0.00 H new ATOM 0 HD1 TYR A 107 15.983 -3.408 8.681 1.00 0.00 H new ATOM 0 HD2 TYR A 107 18.795 -5.381 6.166 1.00 0.00 H new ATOM 0 HE1 TYR A 107 16.882 -4.601 10.626 1.00 0.00 H new ATOM 0 HE2 TYR A 107 19.703 -6.573 8.112 1.00 0.00 H new ATOM 0 HH TYR A 107 19.570 -6.918 10.295 1.00 0.00 H new ATOM 1693 N LEU A 108 13.759 -2.945 4.695 1.00 0.00 N ATOM 1694 CA LEU A 108 13.017 -2.108 3.766 1.00 0.00 C ATOM 1695 C LEU A 108 12.465 -0.871 4.468 1.00 0.00 C ATOM 1696 O LEU A 108 11.664 -0.983 5.398 1.00 0.00 O ATOM 1697 CB LEU A 108 11.865 -2.912 3.151 1.00 0.00 C ATOM 1698 CG LEU A 108 11.675 -2.762 1.636 1.00 0.00 C ATOM 1699 CD1 LEU A 108 11.413 -1.309 1.260 1.00 0.00 C ATOM 1700 CD2 LEU A 108 12.889 -3.297 0.886 1.00 0.00 C ATOM 0 H LEU A 108 13.301 -3.085 5.595 1.00 0.00 H new ATOM 0 HA LEU A 108 13.697 -1.782 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 108 12.024 -3.967 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.939 -2.618 3.644 1.00 0.00 H new ATOM 0 HG LEU A 108 10.804 -3.350 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 108 11.282 -1.230 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.510 -0.961 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.259 -0.695 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.734 -3.181 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.777 -2.740 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.026 -4.353 1.121 1.00 0.00 H new ATOM 1712 N VAL A 109 12.888 0.298 4.009 1.00 0.00 N ATOM 1713 CA VAL A 109 12.431 1.570 4.558 1.00 0.00 C ATOM 1714 C VAL A 109 12.236 2.560 3.404 1.00 0.00 C ATOM 1715 O VAL A 109 12.849 2.406 2.352 1.00 0.00 O ATOM 1716 CB VAL A 109 13.415 2.118 5.637 1.00 0.00 C ATOM 1717 CG1 VAL A 109 14.860 1.919 5.221 1.00 0.00 C ATOM 1718 CG2 VAL A 109 13.158 3.585 5.957 1.00 0.00 C ATOM 0 H VAL A 109 13.558 0.393 3.246 1.00 0.00 H new ATOM 0 HA VAL A 109 11.479 1.424 5.068 1.00 0.00 H new ATOM 0 HB VAL A 109 13.231 1.542 6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 109 15.519 2.312 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 109 15.056 0.856 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.045 2.446 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.867 3.922 6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.280 4.181 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.142 3.703 6.334 1.00 0.00 H new ATOM 1728 N VAL A 110 11.359 3.539 3.580 1.00 0.00 N ATOM 1729 CA VAL A 110 11.079 4.515 2.531 1.00 0.00 C ATOM 1730 C VAL A 110 11.496 5.923 2.955 1.00 0.00 C ATOM 1731 O VAL A 110 11.408 6.273 4.131 1.00 0.00 O ATOM 1732 CB VAL A 110 9.575 4.497 2.156 1.00 0.00 C ATOM 1733 CG1 VAL A 110 8.703 4.637 3.395 1.00 0.00 C ATOM 1734 CG2 VAL A 110 9.237 5.585 1.141 1.00 0.00 C ATOM 0 H VAL A 110 10.828 3.680 4.439 1.00 0.00 H new ATOM 0 HA VAL A 110 11.666 4.235 1.656 1.00 0.00 H new ATOM 0 HB VAL A 110 9.367 3.532 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.653 4.621 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 110 8.903 3.810 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.928 5.580 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.174 5.542 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 110 9.475 6.562 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 110 9.820 5.429 0.233 1.00 0.00 H new ATOM 1744 N ASN A 111 11.977 6.709 1.996 1.00 0.00 N ATOM 1745 CA ASN A 111 12.395 8.082 2.254 1.00 0.00 C ATOM 1746 C ASN A 111 11.174 8.990 2.331 1.00 0.00 C ATOM 1747 O ASN A 111 10.316 8.954 1.448 1.00 0.00 O ATOM 1748 CB ASN A 111 13.338 8.576 1.149 1.00 0.00 C ATOM 1749 CG ASN A 111 14.343 9.594 1.646 1.00 0.00 C ATOM 1750 OD1 ASN A 111 14.769 9.554 2.799 1.00 0.00 O ATOM 1751 ND2 ASN A 111 14.737 10.510 0.776 1.00 0.00 N ATOM 0 H ASN A 111 12.087 6.415 1.026 1.00 0.00 H new ATOM 0 HA ASN A 111 12.927 8.109 3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.870 7.725 0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.749 9.017 0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.418 11.217 1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.360 10.509 -0.172 1.00 0.00 H new ATOM 1758 N PRO A 112 11.083 9.824 3.376 1.00 0.00 N ATOM 1759 CA PRO A 112 9.953 10.743 3.570 1.00 0.00 C ATOM 1760 C PRO A 112 9.899 11.850 2.521 1.00 0.00 C ATOM 1761 O PRO A 112 8.953 12.639 2.487 1.00 0.00 O ATOM 1762 CB PRO A 112 10.205 11.351 4.955 1.00 0.00 C ATOM 1763 CG PRO A 112 11.242 10.486 5.590 1.00 0.00 C ATOM 1764 CD PRO A 112 12.060 9.926 4.468 1.00 0.00 C ATOM 0 HA PRO A 112 9.002 10.217 3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.550 12.382 4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 112 9.291 11.367 5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.864 11.062 6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.781 9.688 6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 112 12.892 10.580 4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 112 12.486 8.955 4.722 1.00 0.00 H new ATOM 1772 N ASN A 113 10.912 11.898 1.667 1.00 0.00 N ATOM 1773 CA ASN A 113 10.992 12.916 0.626 1.00 0.00 C ATOM 1774 C ASN A 113 9.982 12.652 -0.487 1.00 0.00 C ATOM 1775 O ASN A 113 9.019 13.404 -0.654 1.00 0.00 O ATOM 1776 CB ASN A 113 12.407 12.967 0.042 1.00 0.00 C ATOM 1777 CG ASN A 113 12.543 13.978 -1.079 1.00 0.00 C ATOM 1778 OD1 ASN A 113 12.061 15.107 -0.979 1.00 0.00 O ATOM 1779 ND2 ASN A 113 13.198 13.577 -2.153 1.00 0.00 N ATOM 0 H ASN A 113 11.693 11.242 1.674 1.00 0.00 H new ATOM 0 HA ASN A 113 10.754 13.877 1.081 1.00 0.00 H new ATOM 0 HB2 ASN A 113 13.114 13.213 0.835 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.677 11.979 -0.331 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.321 14.212 -2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.581 12.633 -2.194 1.00 0.00 H new ATOM 1786 N TYR A 114 10.207 11.571 -1.234 1.00 0.00 N ATOM 1787 CA TYR A 114 9.347 11.192 -2.353 1.00 0.00 C ATOM 1788 C TYR A 114 9.316 12.305 -3.408 1.00 0.00 C ATOM 1789 O TYR A 114 10.166 13.194 -3.403 1.00 0.00 O ATOM 1790 CB TYR A 114 7.932 10.856 -1.864 1.00 0.00 C ATOM 1791 CG TYR A 114 7.295 9.703 -2.615 1.00 0.00 C ATOM 1792 CD1 TYR A 114 7.628 8.390 -2.314 1.00 0.00 C ATOM 1793 CD2 TYR A 114 6.378 9.927 -3.636 1.00 0.00 C ATOM 1794 CE1 TYR A 114 7.068 7.334 -3.010 1.00 0.00 C ATOM 1795 CE2 TYR A 114 5.811 8.877 -4.331 1.00 0.00 C ATOM 1796 CZ TYR A 114 6.160 7.584 -4.016 1.00 0.00 C ATOM 1797 OH TYR A 114 5.613 6.536 -4.722 1.00 0.00 O ATOM 0 H TYR A 114 10.989 10.935 -1.080 1.00 0.00 H new ATOM 0 HA TYR A 114 9.761 10.297 -2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 114 7.971 10.612 -0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 114 7.301 11.739 -1.965 1.00 0.00 H new ATOM 0 HD1 TYR A 114 8.336 8.189 -1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.104 10.940 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 114 7.341 6.318 -2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 114 5.097 9.070 -5.118 1.00 0.00 H new ATOM 0 HH TYR A 114 6.299 6.134 -5.295 1.00 0.00 H new ATOM 1807 N LEU A 115 8.350 12.256 -4.319 1.00 0.00 N ATOM 1808 CA LEU A 115 8.250 13.271 -5.364 1.00 0.00 C ATOM 1809 C LEU A 115 6.804 13.706 -5.594 1.00 0.00 C ATOM 1810 O LEU A 115 6.441 14.141 -6.690 1.00 0.00 O ATOM 1811 CB LEU A 115 8.895 12.798 -6.693 1.00 0.00 C ATOM 1812 CG LEU A 115 8.685 11.333 -7.138 1.00 0.00 C ATOM 1813 CD1 LEU A 115 9.589 10.383 -6.364 1.00 0.00 C ATOM 1814 CD2 LEU A 115 7.229 10.903 -7.022 1.00 0.00 C ATOM 0 H LEU A 115 7.632 11.533 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 115 8.810 14.137 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 115 8.522 13.442 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.969 12.971 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 115 8.959 11.283 -8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.416 9.361 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.631 10.651 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.367 10.456 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.129 9.867 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.905 10.993 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.610 11.541 -7.652 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.304 -9.697 -2.378 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.664 -9.596 -2.906 1.00 0.00 C ATOM 2022 C LEU B 390 -7.554 -10.750 -2.439 1.00 0.00 C ATOM 2023 O LEU B 390 -8.772 -10.609 -2.421 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.635 -9.539 -4.434 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.712 -8.652 -5.068 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.466 -7.182 -4.747 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -7.759 -8.865 -6.572 1.00 0.00 C ATOM 0 HA LEU B 390 -7.095 -8.674 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.656 -9.179 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -6.744 -10.551 -4.823 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.676 -8.936 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -8.244 -6.574 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.485 -7.037 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -6.493 -6.883 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -8.529 -8.227 -7.006 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -6.792 -8.612 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -7.990 -9.909 -6.785 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.955 -11.872 -2.039 1.00 0.00 N ATOM 2040 CA GLU B 391 -7.716 -13.033 -1.573 1.00 0.00 C ATOM 2041 C GLU B 391 -8.605 -12.654 -0.395 1.00 0.00 C ATOM 2042 O GLU B 391 -9.671 -13.222 -0.200 1.00 0.00 O ATOM 2043 CB GLU B 391 -6.779 -14.172 -1.164 1.00 0.00 C ATOM 2044 CG GLU B 391 -7.421 -15.546 -1.263 1.00 0.00 C ATOM 2045 CD GLU B 391 -6.547 -16.645 -0.694 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -6.621 -16.899 0.529 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -5.788 -17.271 -1.467 1.00 0.00 O ATOM 0 H GLU B 391 -5.943 -12.002 -2.028 1.00 0.00 H new ATOM 0 HA GLU B 391 -8.342 -13.373 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -5.891 -14.147 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -6.445 -14.008 -0.139 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -8.374 -15.536 -0.734 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -7.639 -15.766 -2.308 1.00 0.00 H new ATOM 2054 N ARG B 392 -8.160 -11.676 0.381 1.00 0.00 N ATOM 2055 CA ARG B 392 -8.917 -11.196 1.530 1.00 0.00 C ATOM 2056 C ARG B 392 -10.286 -10.665 1.089 1.00 0.00 C ATOM 2057 O ARG B 392 -11.234 -10.606 1.870 1.00 0.00 O ATOM 2058 CB ARG B 392 -8.123 -10.094 2.233 1.00 0.00 C ATOM 2059 CG ARG B 392 -8.815 -9.536 3.457 1.00 0.00 C ATOM 2060 CD ARG B 392 -8.283 -10.159 4.737 1.00 0.00 C ATOM 2061 NE ARG B 392 -6.907 -9.738 5.030 1.00 0.00 N ATOM 2062 CZ ARG B 392 -5.843 -10.542 4.944 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -5.991 -11.812 4.579 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -4.632 -10.073 5.238 1.00 0.00 N ATOM 0 H ARG B 392 -7.272 -11.196 0.235 1.00 0.00 H new ATOM 0 HA ARG B 392 -9.080 -12.023 2.221 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -7.150 -10.489 2.524 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -7.940 -9.283 1.528 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -8.676 -8.456 3.493 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -9.887 -9.717 3.383 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -8.930 -9.883 5.569 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -8.318 -11.245 4.652 1.00 0.00 H new ATOM 0 HE ARG B 392 -6.754 -8.771 5.317 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -6.919 -12.176 4.363 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -5.176 -12.422 4.515 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -4.518 -9.102 5.528 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -3.819 -10.685 5.173 1.00 0.00 H new ATOM 2078 N ILE B 393 -10.375 -10.298 -0.180 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.602 -9.763 -0.756 1.00 0.00 C ATOM 2080 C ILE B 393 -12.671 -10.844 -0.937 1.00 0.00 C ATOM 2081 O ILE B 393 -13.862 -10.554 -0.818 1.00 0.00 O ATOM 2082 CB ILE B 393 -11.325 -9.066 -2.107 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.455 -7.831 -1.888 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.617 -8.682 -2.808 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -10.408 -6.897 -3.076 1.00 0.00 C ATOM 0 H ILE B 393 -9.600 -10.362 -0.840 1.00 0.00 H new ATOM 0 HA ILE B 393 -11.984 -9.027 -0.049 1.00 0.00 H new ATOM 0 HB ILE B 393 -10.795 -9.770 -2.748 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -10.829 -7.284 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -9.441 -8.151 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -12.386 -8.194 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -13.209 -9.578 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -13.184 -7.998 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -9.770 -6.044 -2.843 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -10.005 -7.426 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -11.415 -6.546 -3.303 1.00 0.00 H new ATOM 2097 N ARG B 394 -12.261 -12.088 -1.199 1.00 0.00 N ATOM 2098 CA ARG B 394 -13.231 -13.170 -1.386 1.00 0.00 C ATOM 2099 C ARG B 394 -14.085 -13.334 -0.129 1.00 0.00 C ATOM 2100 O ARG B 394 -15.267 -13.676 -0.207 1.00 0.00 O ATOM 2101 CB ARG B 394 -12.549 -14.494 -1.771 1.00 0.00 C ATOM 2102 CG ARG B 394 -11.738 -15.139 -0.660 1.00 0.00 C ATOM 2103 CD ARG B 394 -11.762 -16.656 -0.760 1.00 0.00 C ATOM 2104 NE ARG B 394 -11.177 -17.290 0.418 1.00 0.00 N ATOM 2105 CZ ARG B 394 -11.846 -17.557 1.541 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -13.146 -17.297 1.631 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -11.210 -18.106 2.563 1.00 0.00 N ATOM 0 H ARG B 394 -11.284 -12.368 -1.285 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.881 -12.897 -2.218 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -13.313 -15.198 -2.100 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -11.893 -14.315 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -10.708 -14.787 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -12.135 -14.831 0.307 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -12.791 -16.995 -0.881 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -11.216 -16.970 -1.650 1.00 0.00 H new ATOM 0 HE ARG B 394 -10.190 -17.546 0.380 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -13.641 -16.890 0.837 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -13.649 -17.505 2.494 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -10.216 -18.322 2.489 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -11.714 -18.313 3.425 1.00 0.00 H new ATOM 2121 N ALA B 395 -13.487 -13.061 1.027 1.00 0.00 N ATOM 2122 CA ALA B 395 -14.203 -13.139 2.290 1.00 0.00 C ATOM 2123 C ALA B 395 -14.933 -11.824 2.540 1.00 0.00 C ATOM 2124 O ALA B 395 -15.994 -11.792 3.164 1.00 0.00 O ATOM 2125 CB ALA B 395 -13.251 -13.453 3.435 1.00 0.00 C ATOM 0 H ALA B 395 -12.509 -12.784 1.112 1.00 0.00 H new ATOM 0 HA ALA B 395 -14.932 -13.948 2.236 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -13.810 -13.506 4.369 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -12.762 -14.409 3.250 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -12.498 -12.669 3.507 1.00 0.00 H new ATOM 2131 N LYS B 396 -14.356 -10.742 2.025 1.00 0.00 N ATOM 2132 CA LYS B 396 -14.933 -9.407 2.159 1.00 0.00 C ATOM 2133 C LYS B 396 -16.265 -9.330 1.415 1.00 0.00 C ATOM 2134 O LYS B 396 -17.227 -8.729 1.901 1.00 0.00 O ATOM 2135 CB LYS B 396 -13.956 -8.353 1.615 1.00 0.00 C ATOM 2136 CG LYS B 396 -14.573 -6.971 1.436 1.00 0.00 C ATOM 2137 CD LYS B 396 -14.691 -6.577 -0.032 1.00 0.00 C ATOM 2138 CE LYS B 396 -15.593 -5.366 -0.206 1.00 0.00 C ATOM 2139 NZ LYS B 396 -15.238 -4.260 0.731 1.00 0.00 N ATOM 0 H LYS B 396 -13.479 -10.765 1.505 1.00 0.00 H new ATOM 0 HA LYS B 396 -15.113 -9.206 3.215 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -13.106 -8.275 2.293 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -13.567 -8.693 0.655 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -15.561 -6.954 1.895 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -13.966 -6.233 1.960 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -13.701 -6.357 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -15.088 -7.415 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -15.522 -5.007 -1.233 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -16.630 -5.660 -0.042 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -15.967 -3.519 0.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -15.181 -4.631 1.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -14.318 -3.857 0.460 1.00 0.00 H new