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= 0.0037 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 84:sc= 1.3 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.191 F(o=-1.6!,f=-0.19) USER MOD Single : A 27 HIS : no HD1:sc= -0.926 X(o=-0.93,f=-0.44) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= -0.0157 (180deg=-0.225) USER MOD Single : A 38 SER OG : rot 180:sc= 0.121 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0263 USER MOD Single : A 47 ASN : amide:sc= 0.803 K(o=0.8,f=-4!) USER MOD Single : A 49 TYR OH : rot -120:sc= -0.0994 USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= 0.429 (180deg=-0.667!) USER MOD Single : A 55 SER OG : rot 92:sc= 0.134 USER MOD Single : A 59 SER OG : rot 69:sc= 0.927 USER MOD Single : A 65 ASN : amide:sc= 0.331 K(o=0.33,f=-0.89) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 139:sc= -6.52! (180deg=-8.37!) USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -0.0629 (180deg=-0.34) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -88:sc= 1.2 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.0584 X(o=-0.058,f=-0.11) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.322 F(o=-1.2,f=-0.32) USER MOD Single : A 113 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.4!) USER MOD Single : A 114 TYR OH : rot 180:sc= 0.183 USER MOD Single : B 396 LYS NZ :NH3+ 171:sc= -0.0245 (180deg=-0.177) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -6.032 13.693 -9.172 1.00 0.00 N ATOM 140 CA PHE A 14 -5.608 12.374 -8.724 1.00 0.00 C ATOM 141 C PHE A 14 -5.909 12.198 -7.242 1.00 0.00 C ATOM 142 O PHE A 14 -5.004 12.211 -6.407 1.00 0.00 O ATOM 143 CB PHE A 14 -4.115 12.172 -8.977 1.00 0.00 C ATOM 144 CG PHE A 14 -3.748 12.119 -10.433 1.00 0.00 C ATOM 145 CD1 PHE A 14 -4.509 11.385 -11.330 1.00 0.00 C ATOM 146 CD2 PHE A 14 -2.636 12.796 -10.902 1.00 0.00 C ATOM 147 CE1 PHE A 14 -4.168 11.332 -12.668 1.00 0.00 C ATOM 148 CE2 PHE A 14 -2.291 12.747 -12.238 1.00 0.00 C ATOM 149 CZ PHE A 14 -3.056 12.012 -13.122 1.00 0.00 C ATOM 0 HA PHE A 14 -6.163 11.627 -9.292 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.563 12.983 -8.502 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.797 11.246 -8.498 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.378 10.849 -10.979 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.031 13.369 -10.215 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.771 10.759 -13.357 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.423 13.283 -12.592 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.785 11.969 -14.167 1.00 0.00 H new ATOM 159 N SER A 15 -7.185 12.049 -6.923 1.00 0.00 N ATOM 160 CA SER A 15 -7.624 11.888 -5.545 1.00 0.00 C ATOM 161 C SER A 15 -7.136 10.569 -4.952 1.00 0.00 C ATOM 162 O SER A 15 -6.634 10.530 -3.828 1.00 0.00 O ATOM 163 CB SER A 15 -9.148 11.967 -5.488 1.00 0.00 C ATOM 164 OG SER A 15 -9.618 13.024 -6.310 1.00 0.00 O ATOM 0 H SER A 15 -7.942 12.036 -7.607 1.00 0.00 H new ATOM 0 HA SER A 15 -7.193 12.692 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.580 11.022 -5.817 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.472 12.125 -4.460 1.00 0.00 H new ATOM 0 HG SER A 15 -10.596 13.063 -6.266 1.00 0.00 H new ATOM 170 N GLU A 16 -7.258 9.496 -5.722 1.00 0.00 N ATOM 171 CA GLU A 16 -6.839 8.180 -5.266 1.00 0.00 C ATOM 172 C GLU A 16 -5.326 8.119 -5.104 1.00 0.00 C ATOM 173 O GLU A 16 -4.822 7.676 -4.073 1.00 0.00 O ATOM 174 CB GLU A 16 -7.304 7.107 -6.246 1.00 0.00 C ATOM 175 CG GLU A 16 -8.799 7.131 -6.502 1.00 0.00 C ATOM 176 CD GLU A 16 -9.238 5.999 -7.400 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.233 6.179 -8.637 1.00 0.00 O ATOM 178 OE2 GLU A 16 -9.581 4.924 -6.874 1.00 0.00 O ATOM 0 H GLU A 16 -7.644 9.512 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.297 7.995 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.779 7.238 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.025 6.127 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.330 7.067 -5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.073 8.082 -6.958 1.00 0.00 H new ATOM 185 N TYR A 17 -4.608 8.580 -6.120 1.00 0.00 N ATOM 186 CA TYR A 17 -3.151 8.574 -6.080 1.00 0.00 C ATOM 187 C TYR A 17 -2.638 9.415 -4.913 1.00 0.00 C ATOM 188 O TYR A 17 -1.711 9.012 -4.210 1.00 0.00 O ATOM 189 CB TYR A 17 -2.571 9.085 -7.398 1.00 0.00 C ATOM 190 CG TYR A 17 -2.653 8.083 -8.529 1.00 0.00 C ATOM 191 CD1 TYR A 17 -2.152 6.796 -8.381 1.00 0.00 C ATOM 192 CD2 TYR A 17 -3.230 8.424 -9.748 1.00 0.00 C ATOM 193 CE1 TYR A 17 -2.223 5.878 -9.412 1.00 0.00 C ATOM 194 CE2 TYR A 17 -3.304 7.512 -10.783 1.00 0.00 C ATOM 195 CZ TYR A 17 -2.802 6.242 -10.610 1.00 0.00 C ATOM 196 OH TYR A 17 -2.878 5.329 -11.640 1.00 0.00 O ATOM 0 H TYR A 17 -5.008 8.961 -6.978 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.822 7.545 -5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.100 9.992 -7.690 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.528 9.360 -7.243 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.699 6.507 -7.444 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.627 9.419 -9.888 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.828 4.882 -9.280 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.754 7.794 -11.724 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.315 5.744 -12.413 1.00 0.00 H new ATOM 206 N SER A 18 -3.256 10.573 -4.700 1.00 0.00 N ATOM 207 CA SER A 18 -2.865 11.461 -3.612 1.00 0.00 C ATOM 208 C SER A 18 -3.159 10.805 -2.264 1.00 0.00 C ATOM 209 O SER A 18 -2.361 10.898 -1.333 1.00 0.00 O ATOM 210 CB SER A 18 -3.600 12.803 -3.722 1.00 0.00 C ATOM 211 OG SER A 18 -2.915 13.830 -3.024 1.00 0.00 O ATOM 0 H SER A 18 -4.030 10.918 -5.268 1.00 0.00 H new ATOM 0 HA SER A 18 -1.794 11.648 -3.685 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.700 13.079 -4.772 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.609 12.700 -3.322 1.00 0.00 H new ATOM 0 HG SER A 18 -3.408 14.672 -3.115 1.00 0.00 H new ATOM 217 N ARG A 19 -4.300 10.127 -2.173 1.00 0.00 N ATOM 218 CA ARG A 19 -4.699 9.452 -0.942 1.00 0.00 C ATOM 219 C ARG A 19 -3.652 8.424 -0.529 1.00 0.00 C ATOM 220 O ARG A 19 -3.219 8.388 0.626 1.00 0.00 O ATOM 221 CB ARG A 19 -6.060 8.772 -1.134 1.00 0.00 C ATOM 222 CG ARG A 19 -6.568 8.033 0.095 1.00 0.00 C ATOM 223 CD ARG A 19 -6.693 8.956 1.296 1.00 0.00 C ATOM 224 NE ARG A 19 -7.705 9.993 1.096 1.00 0.00 N ATOM 225 CZ ARG A 19 -8.113 10.828 2.048 1.00 0.00 C ATOM 226 NH1 ARG A 19 -7.557 10.791 3.257 1.00 0.00 N ATOM 227 NH2 ARG A 19 -9.059 11.716 1.775 1.00 0.00 N ATOM 0 H ARG A 19 -4.966 10.031 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.782 10.196 -0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.793 9.526 -1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.988 8.068 -1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.538 7.588 -0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.888 7.215 0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.947 8.368 2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.729 9.425 1.493 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.123 10.081 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.815 10.120 3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.873 11.433 3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.468 11.755 0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.378 12.360 2.499 1.00 0.00 H new ATOM 241 N ILE A 20 -3.244 7.595 -1.478 1.00 0.00 N ATOM 242 CA ILE A 20 -2.243 6.571 -1.218 1.00 0.00 C ATOM 243 C ILE A 20 -0.890 7.213 -0.895 1.00 0.00 C ATOM 244 O ILE A 20 -0.224 6.833 0.067 1.00 0.00 O ATOM 245 CB ILE A 20 -2.109 5.607 -2.422 1.00 0.00 C ATOM 246 CG1 ILE A 20 -3.102 4.451 -2.302 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.697 5.063 -2.541 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.527 4.813 -2.659 1.00 0.00 C ATOM 0 H ILE A 20 -3.591 7.611 -2.437 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.570 5.992 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.334 6.177 -3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.774 3.637 -2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.081 4.074 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.637 4.390 -3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.001 5.889 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.439 4.519 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.164 3.936 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.878 5.604 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.566 5.160 -3.691 1.00 0.00 H new ATOM 260 N SER A 21 -0.497 8.189 -1.705 1.00 0.00 N ATOM 261 CA SER A 21 0.767 8.894 -1.501 1.00 0.00 C ATOM 262 C SER A 21 0.810 9.553 -0.118 1.00 0.00 C ATOM 263 O SER A 21 1.852 9.566 0.543 1.00 0.00 O ATOM 264 CB SER A 21 0.975 9.938 -2.601 1.00 0.00 C ATOM 265 OG SER A 21 0.925 9.341 -3.889 1.00 0.00 O ATOM 0 H SER A 21 -1.034 8.512 -2.510 1.00 0.00 H new ATOM 0 HA SER A 21 1.577 8.166 -1.552 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.209 10.709 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.938 10.430 -2.462 1.00 0.00 H new ATOM 0 HG SER A 21 -0.008 9.266 -4.179 1.00 0.00 H new ATOM 271 N ASN A 22 -0.328 10.088 0.319 1.00 0.00 N ATOM 272 CA ASN A 22 -0.430 10.727 1.629 1.00 0.00 C ATOM 273 C ASN A 22 -0.208 9.690 2.723 1.00 0.00 C ATOM 274 O ASN A 22 0.449 9.955 3.727 1.00 0.00 O ATOM 275 CB ASN A 22 -1.802 11.380 1.801 1.00 0.00 C ATOM 276 CG ASN A 22 -1.804 12.478 2.847 1.00 0.00 C ATOM 277 OD1 ASN A 22 -0.699 13.201 2.956 1.00 0.00 O flip ATOM 278 ND2 ASN A 22 -2.802 12.687 3.541 1.00 0.00 N flip ATOM 0 H ASN A 22 -1.196 10.091 -0.217 1.00 0.00 H new ATOM 0 HA ASN A 22 0.334 11.501 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.124 11.794 0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.530 10.618 2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.633 12.107 3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.796 13.439 4.230 1.00 0.00 H new ATOM 285 N LEU A 23 -0.761 8.505 2.498 1.00 0.00 N ATOM 286 CA LEU A 23 -0.628 7.384 3.417 1.00 0.00 C ATOM 287 C LEU A 23 0.854 7.039 3.592 1.00 0.00 C ATOM 288 O LEU A 23 1.308 6.752 4.697 1.00 0.00 O ATOM 289 CB LEU A 23 -1.486 6.210 2.864 1.00 0.00 C ATOM 290 CG LEU A 23 -1.042 4.754 3.112 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.130 4.358 2.232 1.00 0.00 C ATOM 292 CD2 LEU A 23 -0.721 4.513 4.566 1.00 0.00 C ATOM 0 H LEU A 23 -1.317 8.294 1.669 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.999 7.624 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.490 6.319 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.567 6.346 1.786 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.886 4.120 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.409 3.325 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.154 4.453 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.978 5.011 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.412 3.477 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.087 5.177 4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.605 4.711 5.172 1.00 0.00 H new ATOM 304 N ILE A 24 1.610 7.123 2.505 1.00 0.00 N ATOM 305 CA ILE A 24 3.032 6.810 2.535 1.00 0.00 C ATOM 306 C ILE A 24 3.799 7.766 3.449 1.00 0.00 C ATOM 307 O ILE A 24 4.514 7.327 4.354 1.00 0.00 O ATOM 308 CB ILE A 24 3.634 6.833 1.106 1.00 0.00 C ATOM 309 CG1 ILE A 24 3.384 5.491 0.416 1.00 0.00 C ATOM 310 CG2 ILE A 24 5.127 7.150 1.124 1.00 0.00 C ATOM 311 CD1 ILE A 24 4.028 4.320 1.130 1.00 0.00 C ATOM 0 H ILE A 24 1.261 7.406 1.589 1.00 0.00 H new ATOM 0 HA ILE A 24 3.134 5.803 2.940 1.00 0.00 H new ATOM 0 HB ILE A 24 3.139 7.627 0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.310 5.320 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.764 5.539 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.510 7.156 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.286 8.128 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.653 6.392 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.811 3.400 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.107 4.470 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.630 4.247 2.142 1.00 0.00 H new ATOM 323 N VAL A 25 3.623 9.063 3.237 1.00 0.00 N ATOM 324 CA VAL A 25 4.326 10.053 4.041 1.00 0.00 C ATOM 325 C VAL A 25 3.814 10.074 5.482 1.00 0.00 C ATOM 326 O VAL A 25 4.594 10.256 6.417 1.00 0.00 O ATOM 327 CB VAL A 25 4.249 11.470 3.425 1.00 0.00 C ATOM 328 CG1 VAL A 25 5.026 11.522 2.117 1.00 0.00 C ATOM 329 CG2 VAL A 25 2.810 11.907 3.205 1.00 0.00 C ATOM 0 H VAL A 25 3.006 9.451 2.523 1.00 0.00 H new ATOM 0 HA VAL A 25 5.373 9.751 4.051 1.00 0.00 H new ATOM 0 HB VAL A 25 4.701 12.165 4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.962 12.525 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.070 11.272 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.602 10.806 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.796 12.907 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.318 11.210 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.283 11.918 4.159 1.00 0.00 H new ATOM 339 N LEU A 26 2.512 9.869 5.660 1.00 0.00 N ATOM 340 CA LEU A 26 1.922 9.857 6.996 1.00 0.00 C ATOM 341 C LEU A 26 2.396 8.642 7.782 1.00 0.00 C ATOM 342 O LEU A 26 2.868 8.770 8.911 1.00 0.00 O ATOM 343 CB LEU A 26 0.396 9.859 6.911 1.00 0.00 C ATOM 344 CG LEU A 26 -0.240 11.240 6.757 1.00 0.00 C ATOM 345 CD1 LEU A 26 -1.668 11.110 6.255 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.204 11.990 8.079 1.00 0.00 C ATOM 0 H LEU A 26 1.849 9.710 4.902 1.00 0.00 H new ATOM 0 HA LEU A 26 2.246 10.759 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.093 9.240 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.004 9.390 7.810 1.00 0.00 H new ATOM 0 HG LEU A 26 0.333 11.808 6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.108 12.102 6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.669 10.608 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.252 10.527 6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.661 12.972 7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.756 11.427 8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.830 12.110 8.401 1.00 0.00 H new ATOM 358 N HIS A 27 2.282 7.468 7.174 1.00 0.00 N ATOM 359 CA HIS A 27 2.701 6.229 7.818 1.00 0.00 C ATOM 360 C HIS A 27 4.174 6.301 8.206 1.00 0.00 C ATOM 361 O HIS A 27 4.536 5.983 9.333 1.00 0.00 O ATOM 362 CB HIS A 27 2.449 5.035 6.888 1.00 0.00 C ATOM 363 CG HIS A 27 3.020 3.731 7.367 1.00 0.00 C ATOM 364 ND1 HIS A 27 2.624 3.104 8.528 1.00 0.00 N ATOM 365 CD2 HIS A 27 3.953 2.924 6.810 1.00 0.00 C ATOM 366 CE1 HIS A 27 3.285 1.969 8.663 1.00 0.00 C ATOM 367 NE2 HIS A 27 4.099 1.835 7.632 1.00 0.00 N ATOM 0 H HIS A 27 1.903 7.347 6.235 1.00 0.00 H new ATOM 0 HA HIS A 27 2.113 6.093 8.726 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.374 4.917 6.755 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.869 5.261 5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.485 3.104 5.888 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.178 1.269 9.478 1.00 0.00 H new ATOM 0 HE2 HIS A 27 4.732 1.051 7.473 1.00 0.00 H new ATOM 376 N LEU A 28 5.012 6.735 7.273 1.00 0.00 N ATOM 377 CA LEU A 28 6.446 6.833 7.519 1.00 0.00 C ATOM 378 C LEU A 28 6.767 7.791 8.669 1.00 0.00 C ATOM 379 O LEU A 28 7.495 7.428 9.596 1.00 0.00 O ATOM 380 CB LEU A 28 7.168 7.280 6.248 1.00 0.00 C ATOM 381 CG LEU A 28 8.636 7.659 6.436 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.438 6.470 6.945 1.00 0.00 C ATOM 383 CD2 LEU A 28 9.215 8.180 5.134 1.00 0.00 C ATOM 0 H LEU A 28 4.724 7.025 6.339 1.00 0.00 H new ATOM 0 HA LEU A 28 6.797 5.842 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.107 6.477 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.638 8.136 5.830 1.00 0.00 H new ATOM 0 HG LEU A 28 8.696 8.451 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.481 6.762 7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.034 6.142 7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.375 5.654 6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.262 8.446 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.142 7.408 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.658 9.061 4.815 1.00 0.00 H new ATOM 395 N ARG A 29 6.208 9.000 8.624 1.00 0.00 N ATOM 396 CA ARG A 29 6.467 9.991 9.666 1.00 0.00 C ATOM 397 C ARG A 29 5.969 9.495 11.020 1.00 0.00 C ATOM 398 O ARG A 29 6.549 9.814 12.057 1.00 0.00 O ATOM 399 CB ARG A 29 5.835 11.347 9.315 1.00 0.00 C ATOM 400 CG ARG A 29 4.338 11.431 9.568 1.00 0.00 C ATOM 401 CD ARG A 29 3.786 12.796 9.190 1.00 0.00 C ATOM 402 NE ARG A 29 4.295 13.862 10.057 1.00 0.00 N ATOM 403 CZ ARG A 29 4.658 15.070 9.619 1.00 0.00 C ATOM 404 NH1 ARG A 29 4.588 15.366 8.327 1.00 0.00 N ATOM 405 NH2 ARG A 29 5.092 15.987 10.474 1.00 0.00 N ATOM 0 H ARG A 29 5.579 9.314 7.885 1.00 0.00 H new ATOM 0 HA ARG A 29 7.546 10.134 9.730 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.332 12.126 9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.025 11.561 8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.827 10.659 8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.134 11.233 10.620 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.047 13.017 8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.698 12.774 9.246 1.00 0.00 H new ATOM 0 HE ARG A 29 4.377 13.670 11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.255 14.669 7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.867 16.291 8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.149 15.770 11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.369 16.909 10.136 1.00 0.00 H new ATOM 419 N LYS A 30 4.896 8.715 11.005 1.00 0.00 N ATOM 420 CA LYS A 30 4.340 8.166 12.229 1.00 0.00 C ATOM 421 C LYS A 30 5.243 7.061 12.768 1.00 0.00 C ATOM 422 O LYS A 30 5.530 7.010 13.961 1.00 0.00 O ATOM 423 CB LYS A 30 2.932 7.621 11.978 1.00 0.00 C ATOM 424 CG LYS A 30 2.191 7.228 13.244 1.00 0.00 C ATOM 425 CD LYS A 30 1.804 8.445 14.064 1.00 0.00 C ATOM 426 CE LYS A 30 1.123 8.049 15.364 1.00 0.00 C ATOM 427 NZ LYS A 30 -0.091 7.224 15.129 1.00 0.00 N ATOM 0 H LYS A 30 4.395 8.450 10.157 1.00 0.00 H new ATOM 0 HA LYS A 30 4.278 8.963 12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.350 8.375 11.447 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.000 6.752 11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.295 6.665 12.982 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.818 6.569 13.844 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.694 9.035 14.284 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.137 9.080 13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.824 7.493 15.986 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.849 8.947 15.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.626 7.132 16.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.688 7.682 14.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.190 6.280 14.795 1.00 0.00 H new ATOM 441 N VAL A 31 5.704 6.195 11.869 1.00 0.00 N ATOM 442 CA VAL A 31 6.565 5.074 12.231 1.00 0.00 C ATOM 443 C VAL A 31 7.849 5.544 12.916 1.00 0.00 C ATOM 444 O VAL A 31 8.172 5.097 14.020 1.00 0.00 O ATOM 445 CB VAL A 31 6.919 4.230 10.986 1.00 0.00 C ATOM 446 CG1 VAL A 31 8.064 3.281 11.271 1.00 0.00 C ATOM 447 CG2 VAL A 31 5.710 3.452 10.506 1.00 0.00 C ATOM 0 H VAL A 31 5.492 6.251 10.873 1.00 0.00 H new ATOM 0 HA VAL A 31 6.008 4.458 12.936 1.00 0.00 H new ATOM 0 HB VAL A 31 7.233 4.918 10.201 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.288 2.702 10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.945 3.852 11.564 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.784 2.605 12.079 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.980 2.864 9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.368 2.786 11.298 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.911 4.146 10.246 1.00 0.00 H new ATOM 457 N GLU A 32 8.568 6.458 12.272 1.00 0.00 N ATOM 458 CA GLU A 32 9.817 6.973 12.825 1.00 0.00 C ATOM 459 C GLU A 32 9.573 7.729 14.130 1.00 0.00 C ATOM 460 O GLU A 32 10.442 7.789 14.999 1.00 0.00 O ATOM 461 CB GLU A 32 10.539 7.868 11.811 1.00 0.00 C ATOM 462 CG GLU A 32 9.705 9.030 11.297 1.00 0.00 C ATOM 463 CD GLU A 32 10.554 10.118 10.673 1.00 0.00 C ATOM 464 OE1 GLU A 32 10.834 10.049 9.459 1.00 0.00 O ATOM 465 OE2 GLU A 32 10.959 11.048 11.400 1.00 0.00 O ATOM 0 H GLU A 32 8.309 6.857 11.370 1.00 0.00 H new ATOM 0 HA GLU A 32 10.458 6.119 13.044 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.445 8.262 12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.852 7.258 10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.990 8.663 10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.127 9.451 12.120 1.00 0.00 H new ATOM 472 N GLU A 33 8.384 8.293 14.268 1.00 0.00 N ATOM 473 CA GLU A 33 8.023 9.045 15.460 1.00 0.00 C ATOM 474 C GLU A 33 7.611 8.116 16.600 1.00 0.00 C ATOM 475 O GLU A 33 7.709 8.478 17.772 1.00 0.00 O ATOM 476 CB GLU A 33 6.881 10.003 15.136 1.00 0.00 C ATOM 477 CG GLU A 33 6.636 11.053 16.199 1.00 0.00 C ATOM 478 CD GLU A 33 5.574 12.045 15.781 1.00 0.00 C ATOM 479 OE1 GLU A 33 5.885 12.960 14.987 1.00 0.00 O ATOM 480 OE2 GLU A 33 4.420 11.905 16.232 1.00 0.00 O ATOM 0 H GLU A 33 7.647 8.244 13.564 1.00 0.00 H new ATOM 0 HA GLU A 33 8.897 9.609 15.784 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.096 10.501 14.191 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.967 9.427 14.992 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.333 10.566 17.126 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.566 11.583 16.406 1.00 0.00 H new ATOM 487 N GLU A 34 7.153 6.919 16.260 1.00 0.00 N ATOM 488 CA GLU A 34 6.713 5.968 17.271 1.00 0.00 C ATOM 489 C GLU A 34 7.842 5.051 17.739 1.00 0.00 C ATOM 490 O GLU A 34 8.213 5.071 18.914 1.00 0.00 O ATOM 491 CB GLU A 34 5.540 5.129 16.754 1.00 0.00 C ATOM 492 CG GLU A 34 4.232 5.899 16.656 1.00 0.00 C ATOM 493 CD GLU A 34 3.031 4.993 16.458 1.00 0.00 C ATOM 494 OE1 GLU A 34 2.914 4.373 15.379 1.00 0.00 O ATOM 495 OE2 GLU A 34 2.191 4.902 17.377 1.00 0.00 O ATOM 0 H GLU A 34 7.077 6.585 15.299 1.00 0.00 H new ATOM 0 HA GLU A 34 6.387 6.554 18.130 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.793 4.734 15.770 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.399 4.273 17.414 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.093 6.487 17.563 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.291 6.603 15.826 1.00 0.00 H new ATOM 502 N GLU A 35 8.400 4.259 16.830 1.00 0.00 N ATOM 503 CA GLU A 35 9.454 3.322 17.202 1.00 0.00 C ATOM 504 C GLU A 35 10.837 3.757 16.718 1.00 0.00 C ATOM 505 O GLU A 35 11.820 3.072 16.985 1.00 0.00 O ATOM 506 CB GLU A 35 9.128 1.922 16.677 1.00 0.00 C ATOM 507 CG GLU A 35 9.061 1.813 15.158 1.00 0.00 C ATOM 508 CD GLU A 35 8.474 0.488 14.710 1.00 0.00 C ATOM 509 OE1 GLU A 35 9.141 -0.556 14.882 1.00 0.00 O ATOM 510 OE2 GLU A 35 7.332 0.482 14.205 1.00 0.00 O ATOM 0 H GLU A 35 8.145 4.246 15.843 1.00 0.00 H new ATOM 0 HA GLU A 35 9.491 3.307 18.291 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.882 1.226 17.045 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.172 1.606 17.093 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.457 2.630 14.762 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.062 1.926 14.742 1.00 0.00 H new ATOM 517 N ASP A 36 10.907 4.883 16.003 1.00 0.00 N ATOM 518 CA ASP A 36 12.183 5.417 15.490 1.00 0.00 C ATOM 519 C ASP A 36 12.812 4.491 14.447 1.00 0.00 C ATOM 520 O ASP A 36 13.973 4.667 14.072 1.00 0.00 O ATOM 521 CB ASP A 36 13.193 5.636 16.629 1.00 0.00 C ATOM 522 CG ASP A 36 12.811 6.755 17.578 1.00 0.00 C ATOM 523 OD1 ASP A 36 12.060 6.494 18.540 1.00 0.00 O ATOM 524 OD2 ASP A 36 13.287 7.894 17.387 1.00 0.00 O ATOM 0 H ASP A 36 10.093 5.449 15.762 1.00 0.00 H new ATOM 0 HA ASP A 36 11.948 6.372 15.019 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.294 4.710 17.195 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.170 5.855 16.199 1.00 0.00 H new ATOM 529 N GLU A 37 12.043 3.526 13.967 1.00 0.00 N ATOM 530 CA GLU A 37 12.532 2.568 12.989 1.00 0.00 C ATOM 531 C GLU A 37 11.676 2.597 11.740 1.00 0.00 C ATOM 532 O GLU A 37 10.663 1.916 11.664 1.00 0.00 O ATOM 533 CB GLU A 37 12.531 1.157 13.574 1.00 0.00 C ATOM 534 CG GLU A 37 13.670 0.894 14.541 1.00 0.00 C ATOM 535 CD GLU A 37 13.381 -0.262 15.470 1.00 0.00 C ATOM 536 OE1 GLU A 37 13.176 -1.390 14.981 1.00 0.00 O ATOM 537 OE2 GLU A 37 13.349 -0.046 16.700 1.00 0.00 O ATOM 0 H GLU A 37 11.071 3.386 14.242 1.00 0.00 H new ATOM 0 HA GLU A 37 13.553 2.846 12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.585 0.987 14.087 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.585 0.436 12.759 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.580 0.686 13.978 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.858 1.792 15.130 1.00 0.00 H new ATOM 544 N SER A 38 12.085 3.398 10.772 1.00 0.00 N ATOM 545 CA SER A 38 11.361 3.522 9.512 1.00 0.00 C ATOM 546 C SER A 38 11.381 2.210 8.721 1.00 0.00 C ATOM 547 O SER A 38 10.608 2.028 7.780 1.00 0.00 O ATOM 548 CB SER A 38 11.980 4.642 8.683 1.00 0.00 C ATOM 549 OG SER A 38 12.709 5.537 9.509 1.00 0.00 O ATOM 0 H SER A 38 12.922 3.978 10.833 1.00 0.00 H new ATOM 0 HA SER A 38 10.320 3.757 9.735 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.641 4.218 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.197 5.185 8.154 1.00 0.00 H new ATOM 0 HG SER A 38 13.099 6.247 8.957 1.00 0.00 H new ATOM 555 N ALA A 39 12.275 1.308 9.108 1.00 0.00 N ATOM 556 CA ALA A 39 12.398 0.019 8.451 1.00 0.00 C ATOM 557 C ALA A 39 11.349 -0.957 8.974 1.00 0.00 C ATOM 558 O ALA A 39 11.482 -1.504 10.075 1.00 0.00 O ATOM 559 CB ALA A 39 13.798 -0.530 8.657 1.00 0.00 C ATOM 0 H ALA A 39 12.928 1.450 9.879 1.00 0.00 H new ATOM 0 HA ALA A 39 12.226 0.150 7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.886 -1.497 8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 39 14.526 0.162 8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.989 -0.649 9.724 1.00 0.00 H new ATOM 565 N LEU A 40 10.309 -1.178 8.184 1.00 0.00 N ATOM 566 CA LEU A 40 9.226 -2.075 8.574 1.00 0.00 C ATOM 567 C LEU A 40 8.933 -3.098 7.476 1.00 0.00 C ATOM 568 O LEU A 40 9.749 -3.315 6.577 1.00 0.00 O ATOM 569 CB LEU A 40 7.957 -1.270 8.877 1.00 0.00 C ATOM 570 CG LEU A 40 7.535 -1.236 10.347 1.00 0.00 C ATOM 571 CD1 LEU A 40 8.480 -0.360 11.150 1.00 0.00 C ATOM 572 CD2 LEU A 40 6.101 -0.743 10.481 1.00 0.00 C ATOM 0 H LEU A 40 10.190 -0.748 7.267 1.00 0.00 H new ATOM 0 HA LEU A 40 9.541 -2.610 9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.107 -0.246 8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.136 -1.684 8.291 1.00 0.00 H new ATOM 0 HG LEU A 40 7.585 -2.250 10.744 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.166 -0.347 12.194 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.492 -0.758 11.081 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.462 0.655 10.753 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.819 -0.726 11.534 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.022 0.262 10.068 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.434 -1.412 9.938 1.00 0.00 H new ATOM 584 N LYS A 41 7.768 -3.730 7.570 1.00 0.00 N ATOM 585 CA LYS A 41 7.347 -4.719 6.587 1.00 0.00 C ATOM 586 C LYS A 41 6.449 -4.064 5.539 1.00 0.00 C ATOM 587 O LYS A 41 5.639 -3.187 5.856 1.00 0.00 O ATOM 588 CB LYS A 41 6.625 -5.885 7.272 1.00 0.00 C ATOM 589 CG LYS A 41 7.474 -6.574 8.331 1.00 0.00 C ATOM 590 CD LYS A 41 6.694 -7.645 9.075 1.00 0.00 C ATOM 591 CE LYS A 41 7.000 -9.036 8.545 1.00 0.00 C ATOM 592 NZ LYS A 41 6.562 -10.097 9.491 1.00 0.00 N ATOM 0 H LYS A 41 7.096 -3.573 8.321 1.00 0.00 H new ATOM 0 HA LYS A 41 8.230 -5.117 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.709 -5.517 7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.331 -6.616 6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.348 -7.023 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.840 -5.833 9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.936 -7.599 10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.626 -7.447 8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.502 -9.177 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.071 -9.129 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.788 -11.031 9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.056 -9.978 10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.536 -10.025 9.643 1.00 0.00 H new ATOM 606 N ARG A 42 6.593 -4.497 4.298 1.00 0.00 N ATOM 607 CA ARG A 42 5.826 -3.945 3.188 1.00 0.00 C ATOM 608 C ARG A 42 4.382 -4.439 3.204 1.00 0.00 C ATOM 609 O ARG A 42 3.451 -3.655 3.011 1.00 0.00 O ATOM 610 CB ARG A 42 6.506 -4.312 1.866 1.00 0.00 C ATOM 611 CG ARG A 42 5.721 -3.926 0.624 1.00 0.00 C ATOM 612 CD ARG A 42 6.505 -4.264 -0.632 1.00 0.00 C ATOM 613 NE ARG A 42 5.650 -4.379 -1.815 1.00 0.00 N ATOM 614 CZ ARG A 42 6.066 -4.859 -2.987 1.00 0.00 C ATOM 615 NH1 ARG A 42 7.326 -5.253 -3.141 1.00 0.00 N ATOM 616 NH2 ARG A 42 5.214 -4.949 -4.001 1.00 0.00 N ATOM 0 H ARG A 42 7.241 -5.238 4.030 1.00 0.00 H new ATOM 0 HA ARG A 42 5.798 -2.860 3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.482 -3.829 1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.682 -5.388 1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.765 -4.450 0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.499 -2.859 0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.257 -3.494 -0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.039 -5.202 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 42 4.680 -4.074 -1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.979 -5.189 -2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.639 -5.620 -4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.246 -4.652 -3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.528 -5.316 -4.900 1.00 0.00 H new ATOM 630 N SER A 43 4.194 -5.731 3.437 1.00 0.00 N ATOM 631 CA SER A 43 2.858 -6.315 3.471 1.00 0.00 C ATOM 632 C SER A 43 2.010 -5.681 4.570 1.00 0.00 C ATOM 633 O SER A 43 0.814 -5.447 4.386 1.00 0.00 O ATOM 634 CB SER A 43 2.952 -7.824 3.683 1.00 0.00 C ATOM 635 OG SER A 43 4.089 -8.357 3.023 1.00 0.00 O ATOM 0 H SER A 43 4.949 -6.396 3.605 1.00 0.00 H new ATOM 0 HA SER A 43 2.375 -6.117 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.009 -8.043 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.049 -8.305 3.307 1.00 0.00 H new ATOM 0 HG SER A 43 4.131 -9.324 3.173 1.00 0.00 H new ATOM 641 N GLU A 44 2.634 -5.390 5.706 1.00 0.00 N ATOM 642 CA GLU A 44 1.933 -4.780 6.831 1.00 0.00 C ATOM 643 C GLU A 44 1.461 -3.374 6.492 1.00 0.00 C ATOM 644 O GLU A 44 0.426 -2.927 6.986 1.00 0.00 O ATOM 645 CB GLU A 44 2.819 -4.755 8.069 1.00 0.00 C ATOM 646 CG GLU A 44 3.019 -6.131 8.666 1.00 0.00 C ATOM 647 CD GLU A 44 3.174 -6.100 10.172 1.00 0.00 C ATOM 648 OE1 GLU A 44 2.646 -5.165 10.811 1.00 0.00 O ATOM 649 OE2 GLU A 44 3.816 -7.015 10.725 1.00 0.00 O ATOM 0 H GLU A 44 3.625 -5.567 5.873 1.00 0.00 H new ATOM 0 HA GLU A 44 1.055 -5.390 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.789 -4.331 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.374 -4.099 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.169 -6.762 8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.904 -6.589 8.224 1.00 0.00 H new ATOM 656 N LEU A 45 2.225 -2.682 5.654 1.00 0.00 N ATOM 657 CA LEU A 45 1.870 -1.330 5.233 1.00 0.00 C ATOM 658 C LEU A 45 0.505 -1.364 4.553 1.00 0.00 C ATOM 659 O LEU A 45 -0.385 -0.570 4.857 1.00 0.00 O ATOM 660 CB LEU A 45 2.934 -0.784 4.273 1.00 0.00 C ATOM 661 CG LEU A 45 3.073 0.743 4.219 1.00 0.00 C ATOM 662 CD1 LEU A 45 4.409 1.128 3.601 1.00 0.00 C ATOM 663 CD2 LEU A 45 1.931 1.366 3.428 1.00 0.00 C ATOM 0 H LEU A 45 3.094 -3.034 5.252 1.00 0.00 H new ATOM 0 HA LEU A 45 1.823 -0.673 6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.899 -1.207 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.708 -1.144 3.269 1.00 0.00 H new ATOM 0 HG LEU A 45 3.030 1.125 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.495 2.214 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.220 0.717 4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.470 0.729 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.053 2.449 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.940 0.978 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.982 1.118 3.903 1.00 0.00 H new ATOM 675 N VAL A 46 0.359 -2.308 3.639 1.00 0.00 N ATOM 676 CA VAL A 46 -0.882 -2.491 2.908 1.00 0.00 C ATOM 677 C VAL A 46 -1.958 -3.081 3.818 1.00 0.00 C ATOM 678 O VAL A 46 -3.132 -2.729 3.718 1.00 0.00 O ATOM 679 CB VAL A 46 -0.673 -3.432 1.701 1.00 0.00 C ATOM 680 CG1 VAL A 46 -1.912 -3.479 0.823 1.00 0.00 C ATOM 681 CG2 VAL A 46 0.541 -3.010 0.890 1.00 0.00 C ATOM 0 H VAL A 46 1.095 -2.967 3.384 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.204 -1.513 2.550 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.495 -4.435 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.736 -4.149 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.758 -3.843 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.132 -2.479 0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.668 -3.687 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.397 -1.994 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.430 -3.045 1.520 1.00 0.00 H new ATOM 691 N ASN A 47 -1.531 -3.954 4.725 1.00 0.00 N ATOM 692 CA ASN A 47 -2.437 -4.635 5.648 1.00 0.00 C ATOM 693 C ASN A 47 -3.281 -3.663 6.469 1.00 0.00 C ATOM 694 O ASN A 47 -4.513 -3.711 6.417 1.00 0.00 O ATOM 695 CB ASN A 47 -1.643 -5.540 6.590 1.00 0.00 C ATOM 696 CG ASN A 47 -2.525 -6.523 7.334 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.479 -7.071 6.777 1.00 0.00 O ATOM 698 ND2 ASN A 47 -2.213 -6.754 8.596 1.00 0.00 N ATOM 0 H ASN A 47 -0.551 -4.210 4.842 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.119 -5.229 5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.896 -6.089 6.017 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.103 -4.925 7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.770 -7.407 9.148 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.415 -6.280 9.019 1.00 0.00 H new ATOM 705 N TRP A 48 -2.631 -2.774 7.220 1.00 0.00 N ATOM 706 CA TRP A 48 -3.371 -1.831 8.054 1.00 0.00 C ATOM 707 C TRP A 48 -4.141 -0.831 7.197 1.00 0.00 C ATOM 708 O TRP A 48 -5.200 -0.352 7.600 1.00 0.00 O ATOM 709 CB TRP A 48 -2.451 -1.117 9.067 1.00 0.00 C ATOM 710 CG TRP A 48 -1.596 -0.018 8.501 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.291 -0.115 8.117 1.00 0.00 C ATOM 712 CD2 TRP A 48 -1.978 1.349 8.279 1.00 0.00 C ATOM 713 NE1 TRP A 48 0.160 1.101 7.665 1.00 0.00 N ATOM 714 CE2 TRP A 48 -0.856 2.013 7.752 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.160 2.074 8.470 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -0.881 3.360 7.414 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -3.183 3.414 8.126 1.00 0.00 C ATOM 718 CH2 TRP A 48 -2.048 4.045 7.604 1.00 0.00 C ATOM 0 H TRP A 48 -1.616 -2.688 7.268 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.096 -2.404 8.632 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.069 -0.700 9.862 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.800 -1.860 9.527 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.302 -1.017 8.162 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.101 1.293 7.320 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.038 1.596 8.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.006 3.850 7.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.091 3.982 8.262 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.095 5.093 7.347 1.00 0.00 H new ATOM 729 N TYR A 49 -3.617 -0.541 6.008 1.00 0.00 N ATOM 730 CA TYR A 49 -4.259 0.396 5.093 1.00 0.00 C ATOM 731 C TYR A 49 -5.657 -0.090 4.741 1.00 0.00 C ATOM 732 O TYR A 49 -6.635 0.647 4.865 1.00 0.00 O ATOM 733 CB TYR A 49 -3.434 0.559 3.809 1.00 0.00 C ATOM 734 CG TYR A 49 -3.907 1.699 2.928 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.005 2.988 3.436 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.261 1.493 1.592 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.439 4.037 2.649 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.696 2.537 0.805 1.00 0.00 C ATOM 739 CZ TYR A 49 -4.782 3.806 1.337 1.00 0.00 C ATOM 740 OH TYR A 49 -5.215 4.850 0.554 1.00 0.00 O ATOM 0 H TYR A 49 -2.748 -0.943 5.657 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.325 1.363 5.591 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.390 0.725 4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.474 -0.370 3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.737 3.174 4.466 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.193 0.501 1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.509 5.033 3.061 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.969 2.362 -0.225 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.122 4.664 0.233 1.00 0.00 H new ATOM 750 N LEU A 50 -5.738 -1.349 4.333 1.00 0.00 N ATOM 751 CA LEU A 50 -7.004 -1.958 3.948 1.00 0.00 C ATOM 752 C LEU A 50 -7.973 -2.004 5.123 1.00 0.00 C ATOM 753 O LEU A 50 -9.162 -1.746 4.962 1.00 0.00 O ATOM 754 CB LEU A 50 -6.771 -3.371 3.423 1.00 0.00 C ATOM 755 CG LEU A 50 -5.632 -3.501 2.419 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.263 -4.961 2.228 1.00 0.00 C ATOM 757 CD2 LEU A 50 -6.012 -2.851 1.095 1.00 0.00 C ATOM 0 H LEU A 50 -4.935 -1.973 4.260 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.443 -1.345 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.568 -4.028 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.690 -3.726 2.956 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.758 -2.979 2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.448 -5.039 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.947 -5.384 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.129 -5.510 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.187 -2.953 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.898 -3.340 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.223 -1.794 1.256 1.00 0.00 H new ATOM 769 N LYS A 51 -7.454 -2.324 6.301 1.00 0.00 N ATOM 770 CA LYS A 51 -8.279 -2.408 7.502 1.00 0.00 C ATOM 771 C LYS A 51 -8.809 -1.038 7.911 1.00 0.00 C ATOM 772 O LYS A 51 -9.871 -0.924 8.518 1.00 0.00 O ATOM 773 CB LYS A 51 -7.480 -3.024 8.650 1.00 0.00 C ATOM 774 CG LYS A 51 -7.809 -4.487 8.905 1.00 0.00 C ATOM 775 CD LYS A 51 -7.460 -5.360 7.707 1.00 0.00 C ATOM 776 CE LYS A 51 -8.682 -5.654 6.839 1.00 0.00 C ATOM 777 NZ LYS A 51 -9.854 -6.107 7.639 1.00 0.00 N ATOM 0 H LYS A 51 -6.466 -2.530 6.452 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.133 -3.046 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.416 -2.932 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.669 -2.454 9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.262 -4.836 9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.871 -4.587 9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.699 -4.863 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.028 -6.298 8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.952 -4.757 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.428 -6.420 6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.540 -6.577 7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.538 -6.775 8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.304 -5.286 8.091 1.00 0.00 H new ATOM 791 N GLU A 52 -8.062 -0.002 7.579 1.00 0.00 N ATOM 792 CA GLU A 52 -8.456 1.360 7.913 1.00 0.00 C ATOM 793 C GLU A 52 -9.412 1.937 6.877 1.00 0.00 C ATOM 794 O GLU A 52 -10.391 2.596 7.226 1.00 0.00 O ATOM 795 CB GLU A 52 -7.228 2.255 8.059 1.00 0.00 C ATOM 796 CG GLU A 52 -6.596 2.180 9.439 1.00 0.00 C ATOM 797 CD GLU A 52 -7.449 2.836 10.505 1.00 0.00 C ATOM 798 OE1 GLU A 52 -8.558 2.334 10.790 1.00 0.00 O ATOM 799 OE2 GLU A 52 -7.014 3.866 11.062 1.00 0.00 O ATOM 0 H GLU A 52 -7.177 -0.075 7.077 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.981 1.325 8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.488 1.971 7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.511 3.287 7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.430 1.135 9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.618 2.661 9.414 1.00 0.00 H new ATOM 806 N ILE A 53 -9.137 1.685 5.605 1.00 0.00 N ATOM 807 CA ILE A 53 -9.984 2.195 4.537 1.00 0.00 C ATOM 808 C ILE A 53 -11.299 1.431 4.462 1.00 0.00 C ATOM 809 O ILE A 53 -12.303 1.970 4.011 1.00 0.00 O ATOM 810 CB ILE A 53 -9.292 2.125 3.159 1.00 0.00 C ATOM 811 CG1 ILE A 53 -8.964 0.674 2.794 1.00 0.00 C ATOM 812 CG2 ILE A 53 -8.036 2.982 3.150 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.351 0.503 1.422 1.00 0.00 C ATOM 0 H ILE A 53 -8.339 1.134 5.289 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.178 3.240 4.779 1.00 0.00 H new ATOM 0 HB ILE A 53 -9.978 2.517 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.278 0.270 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.878 0.082 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.561 2.921 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.301 4.018 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.345 2.622 3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.150 -0.553 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.043 0.874 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.418 1.065 1.368 1.00 0.00 H new ATOM 825 N GLU A 54 -11.301 0.186 4.929 1.00 0.00 N ATOM 826 CA GLU A 54 -12.504 -0.644 4.887 1.00 0.00 C ATOM 827 C GLU A 54 -13.654 -0.002 5.662 1.00 0.00 C ATOM 828 O GLU A 54 -14.822 -0.295 5.410 1.00 0.00 O ATOM 829 CB GLU A 54 -12.205 -2.054 5.405 1.00 0.00 C ATOM 830 CG GLU A 54 -12.335 -2.221 6.910 1.00 0.00 C ATOM 831 CD GLU A 54 -11.993 -3.625 7.359 1.00 0.00 C ATOM 832 OE1 GLU A 54 -12.640 -4.582 6.884 1.00 0.00 O ATOM 833 OE2 GLU A 54 -11.069 -3.787 8.181 1.00 0.00 O ATOM 0 H GLU A 54 -10.487 -0.271 5.340 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.820 -0.724 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.880 -2.756 4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.192 -2.327 5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.678 -1.510 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.354 -1.982 7.214 1.00 0.00 H new ATOM 840 N SER A 55 -13.319 0.894 6.584 1.00 0.00 N ATOM 841 CA SER A 55 -14.321 1.591 7.374 1.00 0.00 C ATOM 842 C SER A 55 -15.128 2.553 6.498 1.00 0.00 C ATOM 843 O SER A 55 -16.229 2.965 6.861 1.00 0.00 O ATOM 844 CB SER A 55 -13.641 2.351 8.510 1.00 0.00 C ATOM 845 OG SER A 55 -12.641 1.550 9.123 1.00 0.00 O ATOM 0 H SER A 55 -12.357 1.154 6.801 1.00 0.00 H new ATOM 0 HA SER A 55 -15.009 0.858 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.194 3.267 8.125 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.383 2.646 9.252 1.00 0.00 H new ATOM 0 HG SER A 55 -11.778 1.715 8.689 1.00 0.00 H new ATOM 851 N GLU A 56 -14.570 2.907 5.344 1.00 0.00 N ATOM 852 CA GLU A 56 -15.237 3.803 4.407 1.00 0.00 C ATOM 853 C GLU A 56 -15.519 3.071 3.097 1.00 0.00 C ATOM 854 O GLU A 56 -16.170 3.604 2.198 1.00 0.00 O ATOM 855 CB GLU A 56 -14.381 5.051 4.141 1.00 0.00 C ATOM 856 CG GLU A 56 -13.123 4.775 3.332 1.00 0.00 C ATOM 857 CD GLU A 56 -12.295 6.018 3.082 1.00 0.00 C ATOM 858 OE1 GLU A 56 -11.614 6.483 4.017 1.00 0.00 O ATOM 859 OE2 GLU A 56 -12.312 6.531 1.942 1.00 0.00 O ATOM 0 H GLU A 56 -13.653 2.585 5.035 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.181 4.123 4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.986 5.789 3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.097 5.495 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.514 4.039 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.402 4.333 2.376 1.00 0.00 H new ATOM 866 N ILE A 57 -15.009 1.846 2.995 1.00 0.00 N ATOM 867 CA ILE A 57 -15.194 1.027 1.806 1.00 0.00 C ATOM 868 C ILE A 57 -16.518 0.283 1.868 1.00 0.00 C ATOM 869 O ILE A 57 -16.685 -0.654 2.651 1.00 0.00 O ATOM 870 CB ILE A 57 -14.045 0.004 1.632 1.00 0.00 C ATOM 871 CG1 ILE A 57 -12.715 0.714 1.352 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.355 -0.992 0.526 1.00 0.00 C ATOM 873 CD1 ILE A 57 -12.777 1.715 0.221 1.00 0.00 C ATOM 0 H ILE A 57 -14.461 1.398 3.729 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.192 1.702 0.950 1.00 0.00 H new ATOM 0 HB ILE A 57 -13.953 -0.546 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.390 1.225 2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.958 -0.035 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.529 -1.697 0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.268 -1.535 0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.490 -0.460 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.797 2.173 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.070 1.208 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.509 2.487 0.458 1.00 0.00 H new ATOM 885 N ASP A 58 -17.459 0.712 1.046 1.00 0.00 N ATOM 886 CA ASP A 58 -18.769 0.084 0.992 1.00 0.00 C ATOM 887 C ASP A 58 -18.827 -0.916 -0.153 1.00 0.00 C ATOM 888 O ASP A 58 -19.682 -1.802 -0.173 1.00 0.00 O ATOM 889 CB ASP A 58 -19.865 1.142 0.808 1.00 0.00 C ATOM 890 CG ASP A 58 -20.131 1.476 -0.651 1.00 0.00 C ATOM 891 OD1 ASP A 58 -19.195 1.933 -1.344 1.00 0.00 O ATOM 892 OD2 ASP A 58 -21.275 1.287 -1.117 1.00 0.00 O ATOM 0 H ASP A 58 -17.341 1.496 0.404 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.937 -0.439 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.787 0.785 1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -19.577 2.051 1.336 1.00 0.00 H new ATOM 897 N SER A 59 -17.884 -0.795 -1.078 1.00 0.00 N ATOM 898 CA SER A 59 -17.850 -1.649 -2.244 1.00 0.00 C ATOM 899 C SER A 59 -16.545 -2.430 -2.318 1.00 0.00 C ATOM 900 O SER A 59 -15.465 -1.877 -2.120 1.00 0.00 O ATOM 901 CB SER A 59 -18.028 -0.801 -3.504 1.00 0.00 C ATOM 902 OG SER A 59 -19.160 0.048 -3.392 1.00 0.00 O ATOM 0 H SER A 59 -17.131 -0.108 -1.037 1.00 0.00 H new ATOM 0 HA SER A 59 -18.666 -2.368 -2.169 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.134 -0.200 -3.671 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.142 -1.452 -4.371 1.00 0.00 H new ATOM 0 HG SER A 59 -18.986 0.737 -2.717 1.00 0.00 H new ATOM 908 N GLU A 60 -16.665 -3.714 -2.608 1.00 0.00 N ATOM 909 CA GLU A 60 -15.518 -4.602 -2.732 1.00 0.00 C ATOM 910 C GLU A 60 -14.549 -4.079 -3.793 1.00 0.00 C ATOM 911 O GLU A 60 -13.330 -4.145 -3.620 1.00 0.00 O ATOM 912 CB GLU A 60 -16.028 -6.013 -3.069 1.00 0.00 C ATOM 913 CG GLU A 60 -15.247 -6.743 -4.149 1.00 0.00 C ATOM 914 CD GLU A 60 -16.153 -7.439 -5.147 1.00 0.00 C ATOM 915 OE1 GLU A 60 -17.198 -6.859 -5.523 1.00 0.00 O ATOM 916 OE2 GLU A 60 -15.821 -8.567 -5.569 1.00 0.00 O ATOM 0 H GLU A 60 -17.562 -4.173 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.967 -4.641 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.010 -6.615 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.069 -5.940 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.609 -6.033 -4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.590 -7.478 -3.684 1.00 0.00 H new ATOM 923 N GLU A 61 -15.108 -3.523 -4.865 1.00 0.00 N ATOM 924 CA GLU A 61 -14.320 -2.965 -5.961 1.00 0.00 C ATOM 925 C GLU A 61 -13.349 -1.901 -5.459 1.00 0.00 C ATOM 926 O GLU A 61 -12.202 -1.837 -5.902 1.00 0.00 O ATOM 927 CB GLU A 61 -15.238 -2.356 -7.023 1.00 0.00 C ATOM 928 CG GLU A 61 -15.986 -3.384 -7.855 1.00 0.00 C ATOM 929 CD GLU A 61 -15.059 -4.354 -8.560 1.00 0.00 C ATOM 930 OE1 GLU A 61 -13.927 -3.958 -8.913 1.00 0.00 O ATOM 931 OE2 GLU A 61 -15.462 -5.517 -8.769 1.00 0.00 O ATOM 0 H GLU A 61 -16.116 -3.447 -4.998 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.746 -3.780 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.961 -1.704 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.643 -1.729 -7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.666 -3.941 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.598 -2.870 -8.596 1.00 0.00 H new ATOM 938 N GLU A 62 -13.813 -1.076 -4.528 1.00 0.00 N ATOM 939 CA GLU A 62 -12.998 -0.009 -3.959 1.00 0.00 C ATOM 940 C GLU A 62 -11.794 -0.582 -3.232 1.00 0.00 C ATOM 941 O GLU A 62 -10.657 -0.167 -3.456 1.00 0.00 O ATOM 942 CB GLU A 62 -13.829 0.823 -2.987 1.00 0.00 C ATOM 943 CG GLU A 62 -14.568 1.968 -3.643 1.00 0.00 C ATOM 944 CD GLU A 62 -13.736 3.234 -3.709 1.00 0.00 C ATOM 945 OE1 GLU A 62 -13.744 4.004 -2.725 1.00 0.00 O ATOM 946 OE2 GLU A 62 -13.081 3.474 -4.747 1.00 0.00 O ATOM 0 H GLU A 62 -14.758 -1.127 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.649 0.624 -4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.550 0.173 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.174 1.222 -2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.861 1.677 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.486 2.168 -3.090 1.00 0.00 H new ATOM 953 N LEU A 63 -12.064 -1.543 -2.362 1.00 0.00 N ATOM 954 CA LEU A 63 -11.019 -2.202 -1.586 1.00 0.00 C ATOM 955 C LEU A 63 -10.034 -2.911 -2.503 1.00 0.00 C ATOM 956 O LEU A 63 -8.834 -2.974 -2.219 1.00 0.00 O ATOM 957 CB LEU A 63 -11.635 -3.194 -0.601 1.00 0.00 C ATOM 958 CG LEU A 63 -10.655 -3.798 0.403 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.061 -2.719 1.291 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.349 -4.852 1.239 1.00 0.00 C ATOM 0 H LEU A 63 -13.005 -1.888 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.478 -1.441 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.431 -2.691 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.099 -4.003 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.841 -4.269 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.366 -3.172 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.531 -1.992 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.859 -2.217 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.641 -5.276 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.180 -4.399 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.726 -5.642 0.589 1.00 0.00 H new ATOM 972 N ILE A 64 -10.547 -3.462 -3.587 1.00 0.00 N ATOM 973 CA ILE A 64 -9.711 -4.142 -4.560 1.00 0.00 C ATOM 974 C ILE A 64 -8.846 -3.130 -5.307 1.00 0.00 C ATOM 975 O ILE A 64 -7.640 -3.321 -5.456 1.00 0.00 O ATOM 976 CB ILE A 64 -10.569 -4.962 -5.544 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.198 -6.142 -4.798 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.744 -5.446 -6.730 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.230 -6.901 -5.595 1.00 0.00 C ATOM 0 H ILE A 64 -11.541 -3.452 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.057 -4.835 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.358 -4.324 -5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.408 -6.831 -4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.662 -5.773 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.379 -6.021 -7.404 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.333 -4.588 -7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.929 -6.076 -6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.625 -7.720 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.043 -6.229 -5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.769 -7.303 -6.497 1.00 0.00 H new ATOM 991 N ASN A 65 -9.466 -2.040 -5.735 1.00 0.00 N ATOM 992 CA ASN A 65 -8.763 -0.981 -6.454 1.00 0.00 C ATOM 993 C ASN A 65 -7.676 -0.356 -5.585 1.00 0.00 C ATOM 994 O ASN A 65 -6.536 -0.197 -6.018 1.00 0.00 O ATOM 995 CB ASN A 65 -9.754 0.097 -6.910 1.00 0.00 C ATOM 996 CG ASN A 65 -9.092 1.442 -7.155 1.00 0.00 C ATOM 997 OD1 ASN A 65 -8.541 1.699 -8.225 1.00 0.00 O ATOM 998 ND2 ASN A 65 -9.151 2.317 -6.163 1.00 0.00 N ATOM 0 H ASN A 65 -10.461 -1.863 -5.597 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.288 -1.424 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.246 -0.232 -7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.531 0.212 -6.154 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.731 3.240 -6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.616 2.068 -5.290 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.039 -0.017 -4.351 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.108 0.599 -3.413 1.00 0.00 C ATOM 1007 C LYS A 66 -5.906 -0.307 -3.169 1.00 0.00 C ATOM 1008 O LYS A 66 -4.783 0.169 -3.027 1.00 0.00 O ATOM 1009 CB LYS A 66 -7.809 0.907 -2.091 1.00 0.00 C ATOM 1010 CG LYS A 66 -7.263 2.141 -1.391 1.00 0.00 C ATOM 1011 CD LYS A 66 -7.976 3.410 -1.834 1.00 0.00 C ATOM 1012 CE LYS A 66 -9.395 3.470 -1.290 1.00 0.00 C ATOM 1013 NZ LYS A 66 -10.091 4.720 -1.688 1.00 0.00 N ATOM 0 H LYS A 66 -8.977 -0.160 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.754 1.532 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.874 1.045 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.710 0.048 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.369 2.023 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.197 2.233 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.417 4.281 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.000 3.454 -2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.959 2.610 -1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.370 3.400 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.055 4.721 -1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.568 5.541 -1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.139 4.776 -2.725 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.150 -1.614 -3.138 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.084 -2.582 -2.922 1.00 0.00 C ATOM 1029 C LYS A 67 -4.141 -2.605 -4.115 1.00 0.00 C ATOM 1030 O LYS A 67 -2.927 -2.727 -3.960 1.00 0.00 O ATOM 1031 CB LYS A 67 -5.661 -3.971 -2.688 1.00 0.00 C ATOM 1032 CG LYS A 67 -4.823 -4.830 -1.755 1.00 0.00 C ATOM 1033 CD LYS A 67 -5.426 -6.215 -1.566 1.00 0.00 C ATOM 1034 CE LYS A 67 -6.600 -6.212 -0.592 1.00 0.00 C ATOM 1035 NZ LYS A 67 -7.730 -5.356 -1.054 1.00 0.00 N ATOM 0 H LYS A 67 -7.076 -2.025 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.525 -2.283 -2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.665 -3.873 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.759 -4.480 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.814 -4.925 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.736 -4.337 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.759 -6.598 -2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.657 -6.896 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.956 -7.233 -0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.258 -5.861 0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.632 -5.837 -0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.707 -4.448 -0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.641 -5.186 -2.076 1.00 0.00 H new ATOM 1049 N ARG A 68 -4.708 -2.490 -5.309 1.00 0.00 N ATOM 1050 CA ARG A 68 -3.908 -2.478 -6.521 1.00 0.00 C ATOM 1051 C ARG A 68 -3.011 -1.248 -6.538 1.00 0.00 C ATOM 1052 O ARG A 68 -1.823 -1.344 -6.833 1.00 0.00 O ATOM 1053 CB ARG A 68 -4.790 -2.487 -7.769 1.00 0.00 C ATOM 1054 CG ARG A 68 -5.563 -3.779 -7.972 1.00 0.00 C ATOM 1055 CD ARG A 68 -6.220 -3.814 -9.343 1.00 0.00 C ATOM 1056 NE ARG A 68 -6.794 -2.519 -9.704 1.00 0.00 N ATOM 1057 CZ ARG A 68 -8.091 -2.232 -9.662 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -8.974 -3.167 -9.331 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -8.495 -1.007 -9.963 1.00 0.00 N ATOM 0 H ARG A 68 -5.713 -2.404 -5.461 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.296 -3.380 -6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.496 -1.659 -7.708 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.165 -2.309 -8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.890 -4.630 -7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.324 -3.877 -7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.483 -4.106 -10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.002 -4.573 -9.352 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.155 -1.785 -10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.658 -4.111 -9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.968 -2.941 -9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.813 -0.295 -10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.488 -0.776 -9.934 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.581 -0.098 -6.199 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.827 1.151 -6.186 1.00 0.00 C ATOM 1075 C ILE A 69 -1.746 1.143 -5.111 1.00 0.00 C ATOM 1076 O ILE A 69 -0.587 1.436 -5.398 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.736 2.381 -5.966 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.807 2.458 -7.056 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.902 3.660 -5.944 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -5.624 3.732 -7.008 1.00 0.00 C ATOM 0 H ILE A 69 -4.560 -0.004 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.363 1.228 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.234 2.276 -5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.328 2.379 -8.032 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.476 1.603 -6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.556 4.518 -5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.175 3.606 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.379 3.770 -6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.364 3.720 -7.808 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.131 3.803 -6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.966 4.591 -7.135 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.120 0.795 -3.881 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.163 0.779 -2.776 1.00 0.00 C ATOM 1094 C ILE A 70 0.009 -0.157 -3.067 1.00 0.00 C ATOM 1095 O ILE A 70 1.155 0.175 -2.791 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.831 0.416 -1.424 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.836 0.584 -0.275 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.382 -0.997 -1.436 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.356 2.005 -0.098 1.00 0.00 C ATOM 0 H ILE A 70 -3.069 0.523 -3.626 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.776 1.794 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.667 1.100 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.302 0.248 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.024 -0.062 -0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.842 -1.216 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.129 -1.090 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.571 -1.702 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.347 2.051 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.139 2.338 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.207 2.653 0.110 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.271 -1.309 -3.654 1.00 0.00 N ATOM 1112 CA GLU A 71 0.777 -2.260 -3.983 1.00 0.00 C ATOM 1113 C GLU A 71 1.602 -1.744 -5.160 1.00 0.00 C ATOM 1114 O GLU A 71 2.829 -1.849 -5.172 1.00 0.00 O ATOM 1115 CB GLU A 71 0.166 -3.617 -4.314 1.00 0.00 C ATOM 1116 CG GLU A 71 1.183 -4.735 -4.382 1.00 0.00 C ATOM 1117 CD GLU A 71 1.727 -5.116 -3.019 1.00 0.00 C ATOM 1118 OE1 GLU A 71 1.025 -5.827 -2.269 1.00 0.00 O ATOM 1119 OE2 GLU A 71 2.873 -4.726 -2.699 1.00 0.00 O ATOM 0 H GLU A 71 -1.212 -1.607 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 71 1.435 -2.376 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.583 -3.863 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.353 -3.550 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.725 -5.610 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.008 -4.431 -5.026 1.00 0.00 H new ATOM 1126 N LYS A 72 0.909 -1.172 -6.137 1.00 0.00 N ATOM 1127 CA LYS A 72 1.541 -0.620 -7.332 1.00 0.00 C ATOM 1128 C LYS A 72 2.518 0.499 -6.982 1.00 0.00 C ATOM 1129 O LYS A 72 3.649 0.505 -7.463 1.00 0.00 O ATOM 1130 CB LYS A 72 0.475 -0.099 -8.302 1.00 0.00 C ATOM 1131 CG LYS A 72 1.029 0.723 -9.457 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.066 1.127 -10.431 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.560 -0.059 -11.246 1.00 0.00 C ATOM 1134 NZ LYS A 72 0.499 -0.600 -12.140 1.00 0.00 N ATOM 0 H LYS A 72 -0.106 -1.077 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 72 2.104 -1.422 -7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.077 -0.947 -8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.238 0.510 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.518 1.616 -9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.790 0.146 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.900 1.563 -9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.311 1.898 -11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.902 -0.845 -10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.419 0.245 -11.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.062 -1.185 -12.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.017 0.187 -12.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.159 -1.181 -11.584 1.00 0.00 H new ATOM 1148 N VAL A 73 2.090 1.433 -6.137 1.00 0.00 N ATOM 1149 CA VAL A 73 2.947 2.551 -5.756 1.00 0.00 C ATOM 1150 C VAL A 73 4.177 2.066 -4.991 1.00 0.00 C ATOM 1151 O VAL A 73 5.262 2.614 -5.159 1.00 0.00 O ATOM 1152 CB VAL A 73 2.199 3.625 -4.936 1.00 0.00 C ATOM 1153 CG1 VAL A 73 1.030 4.189 -5.733 1.00 0.00 C ATOM 1154 CG2 VAL A 73 1.729 3.068 -3.604 1.00 0.00 C ATOM 0 H VAL A 73 1.165 1.439 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 73 3.268 3.020 -6.686 1.00 0.00 H new ATOM 0 HB VAL A 73 2.895 4.438 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.515 4.944 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.401 4.642 -6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.336 3.385 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.206 3.846 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.054 2.230 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.589 2.727 -3.028 1.00 0.00 H new ATOM 1164 N ILE A 74 4.017 1.033 -4.164 1.00 0.00 N ATOM 1165 CA ILE A 74 5.149 0.492 -3.423 1.00 0.00 C ATOM 1166 C ILE A 74 6.092 -0.206 -4.399 1.00 0.00 C ATOM 1167 O ILE A 74 7.315 -0.151 -4.256 1.00 0.00 O ATOM 1168 CB ILE A 74 4.720 -0.492 -2.309 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.767 0.188 -1.319 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.944 -1.018 -1.575 1.00 0.00 C ATOM 1171 CD1 ILE A 74 3.121 -0.769 -0.336 1.00 0.00 C ATOM 0 H ILE A 74 3.128 0.562 -3.994 1.00 0.00 H new ATOM 0 HA ILE A 74 5.652 1.324 -2.930 1.00 0.00 H new ATOM 0 HB ILE A 74 4.196 -1.327 -2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.317 0.948 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.985 0.703 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.630 -1.710 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.595 -1.537 -2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.485 -0.185 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.461 -0.215 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.543 -1.515 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.894 -1.266 0.249 1.00 0.00 H new ATOM 1183 N HIS A 75 5.506 -0.850 -5.406 1.00 0.00 N ATOM 1184 CA HIS A 75 6.275 -1.534 -6.440 1.00 0.00 C ATOM 1185 C HIS A 75 7.014 -0.501 -7.288 1.00 0.00 C ATOM 1186 O HIS A 75 8.153 -0.717 -7.703 1.00 0.00 O ATOM 1187 CB HIS A 75 5.343 -2.397 -7.305 1.00 0.00 C ATOM 1188 CG HIS A 75 5.918 -2.818 -8.624 1.00 0.00 C ATOM 1189 ND1 HIS A 75 7.043 -3.603 -8.743 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.512 -2.551 -9.885 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.305 -3.802 -10.021 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.390 -3.173 -10.734 1.00 0.00 N ATOM 0 H HIS A 75 4.495 -0.912 -5.527 1.00 0.00 H new ATOM 0 HA HIS A 75 7.009 -2.194 -5.977 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.071 -3.290 -6.742 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.422 -1.842 -7.487 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.656 -1.958 -10.170 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.127 -4.380 -10.416 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.344 -3.153 -11.753 1.00 0.00 H new ATOM 1201 N ARG A 76 6.350 0.619 -7.540 1.00 0.00 N ATOM 1202 CA ARG A 76 6.934 1.711 -8.307 1.00 0.00 C ATOM 1203 C ARG A 76 8.069 2.331 -7.505 1.00 0.00 C ATOM 1204 O ARG A 76 9.130 2.647 -8.036 1.00 0.00 O ATOM 1205 CB ARG A 76 5.866 2.770 -8.613 1.00 0.00 C ATOM 1206 CG ARG A 76 6.302 3.821 -9.626 1.00 0.00 C ATOM 1207 CD ARG A 76 5.550 5.132 -9.434 1.00 0.00 C ATOM 1208 NE ARG A 76 6.098 5.912 -8.327 1.00 0.00 N ATOM 1209 CZ ARG A 76 5.367 6.643 -7.486 1.00 0.00 C ATOM 1210 NH1 ARG A 76 4.056 6.767 -7.662 1.00 0.00 N ATOM 1211 NH2 ARG A 76 5.957 7.271 -6.480 1.00 0.00 N ATOM 0 H ARG A 76 5.397 0.796 -7.221 1.00 0.00 H new ATOM 0 HA ARG A 76 7.322 1.327 -9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.972 2.271 -8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.589 3.269 -7.685 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.373 3.998 -9.529 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.131 3.447 -10.635 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.600 5.718 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.497 4.923 -9.246 1.00 0.00 H new ATOM 0 HE ARG A 76 7.108 5.896 -8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.600 6.300 -8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.505 7.329 -7.013 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.966 7.194 -6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.402 7.832 -5.833 1.00 0.00 H new ATOM 1225 N LEU A 77 7.827 2.471 -6.212 1.00 0.00 N ATOM 1226 CA LEU A 77 8.792 3.042 -5.283 1.00 0.00 C ATOM 1227 C LEU A 77 10.056 2.189 -5.195 1.00 0.00 C ATOM 1228 O LEU A 77 11.173 2.710 -5.191 1.00 0.00 O ATOM 1229 CB LEU A 77 8.145 3.157 -3.899 1.00 0.00 C ATOM 1230 CG LEU A 77 9.089 3.539 -2.759 1.00 0.00 C ATOM 1231 CD1 LEU A 77 9.583 4.959 -2.934 1.00 0.00 C ATOM 1232 CD2 LEU A 77 8.392 3.379 -1.418 1.00 0.00 C ATOM 0 H LEU A 77 6.950 2.190 -5.773 1.00 0.00 H new ATOM 0 HA LEU A 77 9.082 4.028 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.348 3.899 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.678 2.203 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 77 9.949 2.870 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.254 5.215 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.118 5.044 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.734 5.642 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.077 3.655 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.515 4.026 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.083 2.342 -1.290 1.00 0.00 H new ATOM 1244 N THR A 78 9.873 0.878 -5.158 1.00 0.00 N ATOM 1245 CA THR A 78 10.987 -0.053 -5.037 1.00 0.00 C ATOM 1246 C THR A 78 11.699 -0.305 -6.368 1.00 0.00 C ATOM 1247 O THR A 78 12.622 -1.120 -6.434 1.00 0.00 O ATOM 1248 CB THR A 78 10.517 -1.400 -4.449 1.00 0.00 C ATOM 1249 OG1 THR A 78 9.281 -1.802 -5.059 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.325 -1.293 -2.944 1.00 0.00 C ATOM 0 H THR A 78 8.957 0.431 -5.210 1.00 0.00 H new ATOM 0 HA THR A 78 11.701 0.418 -4.361 1.00 0.00 H new ATOM 0 HB THR A 78 11.285 -2.146 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.530 -1.422 -4.557 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.994 -2.254 -2.550 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.269 -1.015 -2.476 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.574 -0.533 -2.726 1.00 0.00 H new ATOM 1258 N HIS A 79 11.299 0.401 -7.419 1.00 0.00 N ATOM 1259 CA HIS A 79 11.921 0.208 -8.724 1.00 0.00 C ATOM 1260 C HIS A 79 12.146 1.533 -9.453 1.00 0.00 C ATOM 1261 O HIS A 79 13.282 1.978 -9.607 1.00 0.00 O ATOM 1262 CB HIS A 79 11.062 -0.733 -9.578 1.00 0.00 C ATOM 1263 CG HIS A 79 11.633 -1.030 -10.937 1.00 0.00 C ATOM 1264 ND1 HIS A 79 12.963 -1.318 -11.160 1.00 0.00 N ATOM 1265 CD2 HIS A 79 11.033 -1.087 -12.149 1.00 0.00 C ATOM 1266 CE1 HIS A 79 13.153 -1.534 -12.449 1.00 0.00 C ATOM 1267 NE2 HIS A 79 11.997 -1.401 -13.070 1.00 0.00 N ATOM 0 H HIS A 79 10.558 1.102 -7.396 1.00 0.00 H new ATOM 0 HA HIS A 79 12.901 -0.242 -8.562 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.928 -1.672 -9.040 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.073 -0.292 -9.701 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.986 -0.916 -12.353 1.00 0.00 H new ATOM 0 HE1 HIS A 79 14.096 -1.778 -12.916 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.846 -1.514 -14.072 1.00 0.00 H new ATOM 1276 N TYR A 80 11.061 2.160 -9.881 1.00 0.00 N ATOM 1277 CA TYR A 80 11.130 3.415 -10.623 1.00 0.00 C ATOM 1278 C TYR A 80 11.706 4.542 -9.772 1.00 0.00 C ATOM 1279 O TYR A 80 12.702 5.165 -10.147 1.00 0.00 O ATOM 1280 CB TYR A 80 9.738 3.805 -11.125 1.00 0.00 C ATOM 1281 CG TYR A 80 9.098 2.778 -12.037 1.00 0.00 C ATOM 1282 CD1 TYR A 80 8.361 1.720 -11.519 1.00 0.00 C ATOM 1283 CD2 TYR A 80 9.224 2.876 -13.415 1.00 0.00 C ATOM 1284 CE1 TYR A 80 7.766 0.789 -12.350 1.00 0.00 C ATOM 1285 CE2 TYR A 80 8.635 1.949 -14.252 1.00 0.00 C ATOM 1286 CZ TYR A 80 7.907 0.908 -13.715 1.00 0.00 C ATOM 1287 OH TYR A 80 7.310 -0.014 -14.550 1.00 0.00 O ATOM 0 H TYR A 80 10.112 1.818 -9.727 1.00 0.00 H new ATOM 0 HA TYR A 80 11.796 3.261 -11.472 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.087 3.968 -10.266 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.808 4.754 -11.657 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.251 1.623 -10.449 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.792 3.690 -13.840 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.194 -0.026 -11.932 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.744 2.039 -15.323 1.00 0.00 H new ATOM 0 HH TYR A 80 7.506 0.214 -15.483 1.00 0.00 H new ATOM 1297 N ASP A 81 11.075 4.794 -8.629 1.00 0.00 N ATOM 1298 CA ASP A 81 11.506 5.855 -7.717 1.00 0.00 C ATOM 1299 C ASP A 81 12.947 5.640 -7.281 1.00 0.00 C ATOM 1300 O ASP A 81 13.768 6.557 -7.341 1.00 0.00 O ATOM 1301 CB ASP A 81 10.599 5.912 -6.486 1.00 0.00 C ATOM 1302 CG ASP A 81 9.182 6.339 -6.816 1.00 0.00 C ATOM 1303 OD1 ASP A 81 8.706 6.035 -7.931 1.00 0.00 O ATOM 1304 OD2 ASP A 81 8.535 6.975 -5.962 1.00 0.00 O ATOM 0 H ASP A 81 10.257 4.275 -8.308 1.00 0.00 H new ATOM 0 HA ASP A 81 11.437 6.802 -8.252 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.576 4.931 -6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.023 6.607 -5.761 1.00 0.00 H new ATOM 1309 N HIS A 82 13.236 4.423 -6.818 1.00 0.00 N ATOM 1310 CA HIS A 82 14.578 4.042 -6.380 1.00 0.00 C ATOM 1311 C HIS A 82 15.006 4.828 -5.135 1.00 0.00 C ATOM 1312 O HIS A 82 16.189 4.899 -4.814 1.00 0.00 O ATOM 1313 CB HIS A 82 15.591 4.238 -7.523 1.00 0.00 C ATOM 1314 CG HIS A 82 16.852 3.442 -7.367 1.00 0.00 C ATOM 1315 ND1 HIS A 82 18.060 4.009 -7.027 1.00 0.00 N ATOM 1316 CD2 HIS A 82 17.091 2.116 -7.508 1.00 0.00 C ATOM 1317 CE1 HIS A 82 18.985 3.072 -6.966 1.00 0.00 C ATOM 1318 NE2 HIS A 82 18.422 1.913 -7.252 1.00 0.00 N ATOM 0 H HIS A 82 12.547 3.675 -6.736 1.00 0.00 H new ATOM 0 HA HIS A 82 14.555 2.986 -6.110 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.116 3.965 -8.466 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.847 5.295 -7.589 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.367 1.359 -7.773 1.00 0.00 H new ATOM 0 HE1 HIS A 82 20.026 3.226 -6.723 1.00 0.00 H new ATOM 0 HE2 HIS A 82 18.900 1.012 -7.278 1.00 0.00 H new ATOM 1327 N VAL A 83 14.041 5.400 -4.420 1.00 0.00 N ATOM 1328 CA VAL A 83 14.346 6.163 -3.207 1.00 0.00 C ATOM 1329 C VAL A 83 14.147 5.290 -1.969 1.00 0.00 C ATOM 1330 O VAL A 83 13.982 5.780 -0.851 1.00 0.00 O ATOM 1331 CB VAL A 83 13.492 7.452 -3.086 1.00 0.00 C ATOM 1332 CG1 VAL A 83 13.628 8.306 -4.331 1.00 0.00 C ATOM 1333 CG2 VAL A 83 12.030 7.133 -2.827 1.00 0.00 C ATOM 0 H VAL A 83 13.049 5.352 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 83 15.390 6.469 -3.278 1.00 0.00 H new ATOM 0 HB VAL A 83 13.870 8.012 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.021 9.205 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 83 14.672 8.588 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 83 13.289 7.740 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.464 8.061 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.636 6.536 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.939 6.572 -1.897 1.00 0.00 H new ATOM 1343 N LEU A 84 14.177 3.986 -2.188 1.00 0.00 N ATOM 1344 CA LEU A 84 14.008 3.019 -1.116 1.00 0.00 C ATOM 1345 C LEU A 84 15.355 2.637 -0.512 1.00 0.00 C ATOM 1346 O LEU A 84 16.394 2.725 -1.170 1.00 0.00 O ATOM 1347 CB LEU A 84 13.318 1.757 -1.646 1.00 0.00 C ATOM 1348 CG LEU A 84 14.179 0.896 -2.579 1.00 0.00 C ATOM 1349 CD1 LEU A 84 13.798 -0.571 -2.463 1.00 0.00 C ATOM 1350 CD2 LEU A 84 14.046 1.361 -4.019 1.00 0.00 C ATOM 0 H LEU A 84 14.318 3.570 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 84 13.391 3.478 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.005 1.148 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.413 2.051 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 84 15.219 1.009 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.421 -1.163 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.949 -0.906 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 84 12.750 -0.697 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.665 0.736 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.005 1.284 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.372 2.398 -4.098 1.00 0.00 H new ATOM 1362 N ILE A 85 15.325 2.231 0.743 1.00 0.00 N ATOM 1363 CA ILE A 85 16.509 1.803 1.464 1.00 0.00 C ATOM 1364 C ILE A 85 16.267 0.394 1.992 1.00 0.00 C ATOM 1365 O ILE A 85 15.176 0.096 2.479 1.00 0.00 O ATOM 1366 CB ILE A 85 16.816 2.748 2.648 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.853 4.203 2.179 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.132 2.379 3.314 1.00 0.00 C ATOM 1369 CD1 ILE A 85 16.453 5.186 3.254 1.00 0.00 C ATOM 0 H ILE A 85 14.469 2.189 1.296 1.00 0.00 H new ATOM 0 HA ILE A 85 17.363 1.823 0.787 1.00 0.00 H new ATOM 0 HB ILE A 85 16.017 2.635 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.859 4.441 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 85 16.187 4.319 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.323 3.060 4.143 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.076 1.357 3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.941 2.455 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.501 6.200 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.436 4.972 3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 85 17.134 5.096 4.101 1.00 0.00 H new ATOM 1381 N GLU A 86 17.255 -0.477 1.876 1.00 0.00 N ATOM 1382 CA GLU A 86 17.097 -1.841 2.357 1.00 0.00 C ATOM 1383 C GLU A 86 18.129 -2.165 3.425 1.00 0.00 C ATOM 1384 O GLU A 86 19.272 -2.515 3.121 1.00 0.00 O ATOM 1385 CB GLU A 86 17.184 -2.836 1.193 1.00 0.00 C ATOM 1386 CG GLU A 86 17.845 -2.266 -0.055 1.00 0.00 C ATOM 1387 CD GLU A 86 19.252 -2.786 -0.259 1.00 0.00 C ATOM 1388 OE1 GLU A 86 20.190 -2.238 0.354 1.00 0.00 O ATOM 1389 OE2 GLU A 86 19.428 -3.747 -1.037 1.00 0.00 O ATOM 0 H GLU A 86 18.163 -0.270 1.460 1.00 0.00 H new ATOM 0 HA GLU A 86 16.109 -1.929 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.741 -3.714 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.179 -3.172 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.240 -2.514 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.870 -1.179 0.016 1.00 0.00 H new ATOM 1672 N TYR A 107 15.461 -5.020 6.019 1.00 0.00 N ATOM 1673 CA TYR A 107 14.197 -4.316 6.183 1.00 0.00 C ATOM 1674 C TYR A 107 14.029 -3.242 5.120 1.00 0.00 C ATOM 1675 O TYR A 107 15.012 -2.710 4.606 1.00 0.00 O ATOM 1676 CB TYR A 107 14.115 -3.690 7.568 1.00 0.00 C ATOM 1677 CG TYR A 107 13.719 -4.657 8.660 1.00 0.00 C ATOM 1678 CD1 TYR A 107 12.385 -4.852 8.984 1.00 0.00 C ATOM 1679 CD2 TYR A 107 14.679 -5.362 9.374 1.00 0.00 C ATOM 1680 CE1 TYR A 107 12.018 -5.724 9.991 1.00 0.00 C ATOM 1681 CE2 TYR A 107 14.321 -6.232 10.382 1.00 0.00 C ATOM 1682 CZ TYR A 107 12.990 -6.410 10.688 1.00 0.00 C ATOM 1683 OH TYR A 107 12.630 -7.270 11.702 1.00 0.00 O ATOM 0 HA TYR A 107 13.392 -5.042 6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 107 15.083 -3.255 7.816 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.395 -2.872 7.543 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.622 -4.314 8.441 1.00 0.00 H new ATOM 0 HD2 TYR A 107 15.724 -5.227 9.136 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.975 -5.868 10.231 1.00 0.00 H new ATOM 0 HE2 TYR A 107 15.080 -6.771 10.929 1.00 0.00 H new ATOM 0 HH TYR A 107 13.434 -7.674 12.090 1.00 0.00 H new ATOM 1693 N LEU A 108 12.784 -2.930 4.795 1.00 0.00 N ATOM 1694 CA LEU A 108 12.491 -1.918 3.796 1.00 0.00 C ATOM 1695 C LEU A 108 12.122 -0.594 4.453 1.00 0.00 C ATOM 1696 O LEU A 108 11.226 -0.529 5.298 1.00 0.00 O ATOM 1697 CB LEU A 108 11.360 -2.388 2.875 1.00 0.00 C ATOM 1698 CG LEU A 108 11.778 -2.675 1.430 1.00 0.00 C ATOM 1699 CD1 LEU A 108 12.298 -1.410 0.765 1.00 0.00 C ATOM 1700 CD2 LEU A 108 12.828 -3.776 1.386 1.00 0.00 C ATOM 0 H LEU A 108 11.960 -3.365 5.210 1.00 0.00 H new ATOM 0 HA LEU A 108 13.389 -1.763 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.921 -3.292 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.579 -1.628 2.867 1.00 0.00 H new ATOM 0 HG LEU A 108 10.902 -3.017 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.591 -1.632 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.515 -0.652 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.162 -1.038 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.113 -3.966 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.706 -3.465 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.419 -4.687 1.823 1.00 0.00 H new ATOM 1712 N VAL A 109 12.839 0.450 4.074 1.00 0.00 N ATOM 1713 CA VAL A 109 12.608 1.786 4.597 1.00 0.00 C ATOM 1714 C VAL A 109 12.666 2.803 3.457 1.00 0.00 C ATOM 1715 O VAL A 109 13.447 2.646 2.526 1.00 0.00 O ATOM 1716 CB VAL A 109 13.646 2.140 5.698 1.00 0.00 C ATOM 1717 CG1 VAL A 109 15.008 1.539 5.387 1.00 0.00 C ATOM 1718 CG2 VAL A 109 13.768 3.643 5.892 1.00 0.00 C ATOM 0 H VAL A 109 13.598 0.396 3.395 1.00 0.00 H new ATOM 0 HA VAL A 109 11.618 1.816 5.052 1.00 0.00 H new ATOM 0 HB VAL A 109 13.281 1.707 6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 109 15.712 1.805 6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 109 14.922 0.454 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.368 1.927 4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.503 3.851 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.087 4.106 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.802 4.051 6.188 1.00 0.00 H new ATOM 1728 N VAL A 110 11.820 3.819 3.510 1.00 0.00 N ATOM 1729 CA VAL A 110 11.799 4.844 2.477 1.00 0.00 C ATOM 1730 C VAL A 110 12.197 6.193 3.069 1.00 0.00 C ATOM 1731 O VAL A 110 11.935 6.460 4.243 1.00 0.00 O ATOM 1732 CB VAL A 110 10.407 4.939 1.798 1.00 0.00 C ATOM 1733 CG1 VAL A 110 9.330 5.318 2.802 1.00 0.00 C ATOM 1734 CG2 VAL A 110 10.427 5.922 0.634 1.00 0.00 C ATOM 0 H VAL A 110 11.139 3.957 4.257 1.00 0.00 H new ATOM 0 HA VAL A 110 12.521 4.564 1.710 1.00 0.00 H new ATOM 0 HB VAL A 110 10.168 3.952 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.366 5.377 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.283 4.563 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.568 6.286 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.438 5.967 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.704 6.911 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.154 5.592 -0.108 1.00 0.00 H new ATOM 1744 N ASN A 111 12.863 7.020 2.270 1.00 0.00 N ATOM 1745 CA ASN A 111 13.291 8.342 2.720 1.00 0.00 C ATOM 1746 C ASN A 111 12.083 9.243 2.942 1.00 0.00 C ATOM 1747 O ASN A 111 11.116 9.189 2.178 1.00 0.00 O ATOM 1748 CB ASN A 111 14.230 8.999 1.701 1.00 0.00 C ATOM 1749 CG ASN A 111 15.567 8.297 1.582 1.00 0.00 C ATOM 1750 OD1 ASN A 111 16.477 8.587 2.498 1.00 0.00 O flip ATOM 1751 ND2 ASN A 111 15.782 7.494 0.676 1.00 0.00 N flip ATOM 0 H ASN A 111 13.119 6.799 1.308 1.00 0.00 H new ATOM 0 HA ASN A 111 13.829 8.212 3.659 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.745 9.011 0.725 1.00 0.00 H new ATOM 0 HB3 ASN A 111 14.396 10.038 1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.056 7.295 -0.012 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.686 7.026 0.613 1.00 0.00 H new ATOM 1758 N PRO A 112 12.127 10.092 3.987 1.00 0.00 N ATOM 1759 CA PRO A 112 11.033 11.017 4.316 1.00 0.00 C ATOM 1760 C PRO A 112 10.780 12.047 3.219 1.00 0.00 C ATOM 1761 O PRO A 112 9.787 12.768 3.256 1.00 0.00 O ATOM 1762 CB PRO A 112 11.509 11.708 5.599 1.00 0.00 C ATOM 1763 CG PRO A 112 12.986 11.520 5.614 1.00 0.00 C ATOM 1764 CD PRO A 112 13.234 10.197 4.950 1.00 0.00 C ATOM 0 HA PRO A 112 10.086 10.488 4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.246 12.766 5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.046 11.265 6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 112 13.489 12.326 5.080 1.00 0.00 H new ATOM 0 HG3 PRO A 112 13.371 11.524 6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.204 10.171 4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.222 9.377 5.668 1.00 0.00 H new ATOM 1772 N ASN A 113 11.690 12.118 2.255 1.00 0.00 N ATOM 1773 CA ASN A 113 11.554 13.051 1.144 1.00 0.00 C ATOM 1774 C ASN A 113 10.414 12.618 0.234 1.00 0.00 C ATOM 1775 O ASN A 113 9.317 13.175 0.299 1.00 0.00 O ATOM 1776 CB ASN A 113 12.859 13.142 0.347 1.00 0.00 C ATOM 1777 CG ASN A 113 13.807 14.186 0.907 1.00 0.00 C ATOM 1778 OD1 ASN A 113 13.375 15.215 1.424 1.00 0.00 O ATOM 1779 ND2 ASN A 113 15.104 13.935 0.806 1.00 0.00 N ATOM 0 H ASN A 113 12.530 11.540 2.220 1.00 0.00 H new ATOM 0 HA ASN A 113 11.331 14.038 1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 113 13.351 12.170 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.631 13.382 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 113 15.783 14.607 1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 113 15.424 13.070 0.370 1.00 0.00 H new ATOM 1786 N TYR A 114 10.688 11.613 -0.602 1.00 0.00 N ATOM 1787 CA TYR A 114 9.705 11.058 -1.540 1.00 0.00 C ATOM 1788 C TYR A 114 9.300 12.067 -2.621 1.00 0.00 C ATOM 1789 O TYR A 114 9.161 13.266 -2.367 1.00 0.00 O ATOM 1790 CB TYR A 114 8.469 10.565 -0.780 1.00 0.00 C ATOM 1791 CG TYR A 114 7.540 9.704 -1.605 1.00 0.00 C ATOM 1792 CD1 TYR A 114 8.021 8.617 -2.328 1.00 0.00 C ATOM 1793 CD2 TYR A 114 6.176 9.963 -1.642 1.00 0.00 C ATOM 1794 CE1 TYR A 114 7.168 7.824 -3.072 1.00 0.00 C ATOM 1795 CE2 TYR A 114 5.318 9.175 -2.386 1.00 0.00 C ATOM 1796 CZ TYR A 114 5.818 8.104 -3.094 1.00 0.00 C ATOM 1797 OH TYR A 114 4.964 7.314 -3.829 1.00 0.00 O ATOM 0 H TYR A 114 11.600 11.159 -0.649 1.00 0.00 H new ATOM 0 HA TYR A 114 10.177 10.216 -2.046 1.00 0.00 H new ATOM 0 HB2 TYR A 114 8.794 9.998 0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 114 7.915 11.428 -0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 114 9.077 8.390 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.779 10.795 -1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 114 7.557 6.988 -3.634 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.262 9.398 -2.412 1.00 0.00 H new ATOM 0 HH TYR A 114 4.047 7.648 -3.735 1.00 0.00 H new ATOM 1807 N LEU A 115 9.107 11.571 -3.834 1.00 0.00 N ATOM 1808 CA LEU A 115 8.719 12.417 -4.951 1.00 0.00 C ATOM 1809 C LEU A 115 7.588 11.774 -5.746 1.00 0.00 C ATOM 1810 O LEU A 115 7.150 10.668 -5.430 1.00 0.00 O ATOM 1811 CB LEU A 115 9.918 12.750 -5.876 1.00 0.00 C ATOM 1812 CG LEU A 115 10.959 11.639 -6.155 1.00 0.00 C ATOM 1813 CD1 LEU A 115 11.895 11.451 -4.968 1.00 0.00 C ATOM 1814 CD2 LEU A 115 10.297 10.316 -6.527 1.00 0.00 C ATOM 0 H LEU A 115 9.213 10.584 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 115 8.363 13.359 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.517 13.079 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.446 13.600 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 115 11.548 11.966 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 115 12.615 10.664 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 115 12.425 12.383 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.315 11.171 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 115 11.065 9.565 -6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.658 9.986 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.694 10.451 -7.425 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.076 -9.842 -2.191 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.477 -9.616 -2.509 1.00 0.00 C ATOM 2022 C LEU B 390 -7.301 -10.897 -2.366 1.00 0.00 C ATOM 2023 O LEU B 390 -8.526 -10.864 -2.462 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.630 -9.062 -3.923 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.944 -8.321 -4.176 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.747 -6.818 -4.043 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -8.498 -8.677 -5.548 1.00 0.00 C ATOM 0 HA LEU B 390 -6.854 -8.884 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.801 -8.384 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -6.550 -9.885 -4.633 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.668 -8.633 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -8.693 -6.309 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.399 -6.584 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -7.008 -6.482 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -9.433 -8.142 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -7.778 -8.394 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -8.680 -9.750 -5.599 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.632 -12.023 -2.130 1.00 0.00 N ATOM 2040 CA GLU B 391 -7.324 -13.301 -1.980 1.00 0.00 C ATOM 2041 C GLU B 391 -8.227 -13.278 -0.755 1.00 0.00 C ATOM 2042 O GLU B 391 -9.255 -13.951 -0.709 1.00 0.00 O ATOM 2043 CB GLU B 391 -6.324 -14.449 -1.867 1.00 0.00 C ATOM 2044 CG GLU B 391 -5.446 -14.607 -3.097 1.00 0.00 C ATOM 2045 CD GLU B 391 -4.869 -15.997 -3.222 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -4.011 -16.368 -2.400 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -5.276 -16.727 -4.156 1.00 0.00 O ATOM 0 H GLU B 391 -5.618 -12.077 -2.039 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.936 -13.459 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -5.690 -14.284 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -6.867 -15.378 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -6.030 -14.378 -3.988 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -4.633 -13.882 -3.054 1.00 0.00 H new ATOM 2054 N ARG B 392 -7.831 -12.486 0.228 1.00 0.00 N ATOM 2055 CA ARG B 392 -8.589 -12.334 1.458 1.00 0.00 C ATOM 2056 C ARG B 392 -9.939 -11.671 1.177 1.00 0.00 C ATOM 2057 O ARG B 392 -10.927 -11.903 1.874 1.00 0.00 O ATOM 2058 CB ARG B 392 -7.782 -11.486 2.443 1.00 0.00 C ATOM 2059 CG ARG B 392 -8.464 -11.276 3.783 1.00 0.00 C ATOM 2060 CD ARG B 392 -7.643 -10.373 4.703 1.00 0.00 C ATOM 2061 NE ARG B 392 -6.215 -10.378 4.360 1.00 0.00 N ATOM 2062 CZ ARG B 392 -5.297 -9.592 4.932 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -5.627 -8.786 5.937 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -4.039 -9.632 4.504 1.00 0.00 N ATOM 0 H ARG B 392 -6.976 -11.931 0.195 1.00 0.00 H new ATOM 0 HA ARG B 392 -8.775 -13.318 1.889 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -6.816 -11.963 2.610 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -7.584 -10.514 1.992 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -9.448 -10.835 3.625 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -8.621 -12.240 4.266 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -8.025 -9.354 4.643 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -7.768 -10.700 5.735 1.00 0.00 H new ATOM 0 HE ARG B 392 -5.902 -11.025 3.636 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -6.588 -8.764 6.278 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -4.919 -8.190 6.367 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -3.779 -10.260 3.743 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -3.334 -9.035 4.936 1.00 0.00 H new ATOM 2078 N ILE B 393 -9.969 -10.862 0.126 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.177 -10.143 -0.265 1.00 0.00 C ATOM 2080 C ILE B 393 -12.248 -11.102 -0.783 1.00 0.00 C ATOM 2081 O ILE B 393 -13.440 -10.798 -0.735 1.00 0.00 O ATOM 2082 CB ILE B 393 -10.879 -9.075 -1.344 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -9.620 -8.281 -0.984 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.066 -8.131 -1.511 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -9.622 -7.738 0.427 1.00 0.00 C ATOM 0 H ILE B 393 -9.165 -10.686 -0.476 1.00 0.00 H new ATOM 0 HA ILE B 393 -11.549 -9.643 0.629 1.00 0.00 H new ATOM 0 HB ILE B 393 -10.708 -9.589 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -8.748 -8.922 -1.115 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -9.514 -7.451 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -11.835 -7.388 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -12.945 -8.701 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -12.267 -7.629 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -8.698 -7.188 0.607 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -10.473 -7.070 0.559 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -9.696 -8.564 1.135 1.00 0.00 H new ATOM 2097 N ARG B 394 -11.820 -12.271 -1.255 1.00 0.00 N ATOM 2098 CA ARG B 394 -12.750 -13.272 -1.775 1.00 0.00 C ATOM 2099 C ARG B 394 -13.690 -13.744 -0.673 1.00 0.00 C ATOM 2100 O ARG B 394 -14.821 -14.151 -0.932 1.00 0.00 O ATOM 2101 CB ARG B 394 -12.000 -14.465 -2.361 1.00 0.00 C ATOM 2102 CG ARG B 394 -11.074 -14.098 -3.505 1.00 0.00 C ATOM 2103 CD ARG B 394 -10.623 -15.333 -4.267 1.00 0.00 C ATOM 2104 NE ARG B 394 -9.618 -15.016 -5.277 1.00 0.00 N ATOM 2105 CZ ARG B 394 -8.380 -15.502 -5.267 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -7.989 -16.320 -4.296 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -7.529 -15.171 -6.229 1.00 0.00 N ATOM 0 H ARG B 394 -10.839 -12.548 -1.288 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.334 -12.807 -2.570 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -11.418 -14.941 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -12.723 -15.201 -2.712 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -11.584 -13.415 -4.184 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -10.203 -13.570 -3.116 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -10.216 -16.062 -3.567 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -11.485 -15.798 -4.746 1.00 0.00 H new ATOM 0 HE ARG B 394 -9.880 -14.385 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -8.639 -16.578 -3.554 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -7.039 -16.690 -4.293 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -7.824 -14.543 -6.977 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -6.580 -15.544 -6.221 1.00 0.00 H new ATOM 2121 N ALA B 395 -13.208 -13.694 0.557 1.00 0.00 N ATOM 2122 CA ALA B 395 -14.010 -14.086 1.697 1.00 0.00 C ATOM 2123 C ALA B 395 -14.792 -12.885 2.206 1.00 0.00 C ATOM 2124 O ALA B 395 -15.891 -13.020 2.744 1.00 0.00 O ATOM 2125 CB ALA B 395 -13.127 -14.656 2.791 1.00 0.00 C ATOM 0 H ALA B 395 -12.264 -13.385 0.789 1.00 0.00 H new ATOM 0 HA ALA B 395 -14.714 -14.861 1.393 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -13.743 -14.946 3.642 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -12.597 -15.530 2.412 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -12.406 -13.902 3.106 1.00 0.00 H new ATOM 2131 N LYS B 396 -14.215 -11.704 2.003 1.00 0.00 N ATOM 2132 CA LYS B 396 -14.833 -10.457 2.435 1.00 0.00 C ATOM 2133 C LYS B 396 -16.074 -10.135 1.607 1.00 0.00 C ATOM 2134 O LYS B 396 -17.073 -9.658 2.141 1.00 0.00 O ATOM 2135 CB LYS B 396 -13.835 -9.301 2.332 1.00 0.00 C ATOM 2136 CG LYS B 396 -14.412 -7.961 2.760 1.00 0.00 C ATOM 2137 CD LYS B 396 -14.094 -6.865 1.755 1.00 0.00 C ATOM 2138 CE LYS B 396 -14.770 -5.553 2.129 1.00 0.00 C ATOM 2139 NZ LYS B 396 -14.379 -5.084 3.489 1.00 0.00 N ATOM 0 H LYS B 396 -13.314 -11.586 1.539 1.00 0.00 H new ATOM 0 HA LYS B 396 -15.135 -10.584 3.475 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -12.965 -9.527 2.949 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -13.485 -9.225 1.303 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -15.493 -8.049 2.872 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -14.011 -7.687 3.736 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -13.015 -6.718 1.704 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -14.421 -7.174 0.762 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -14.510 -4.790 1.395 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -15.852 -5.679 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -14.739 -4.120 3.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -14.783 -5.721 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -13.342 -5.083 3.571 1.00 0.00 H new