USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 395 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 9 SER OG : rot 180:sc= 0.328 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.46! C(o=-2.5!,f=-4.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0959 X(o=-0.096,f=-0.49) USER MOD Single : A 23 ASN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.047) USER MOD Single : A 35 SER OG : rot 59:sc= -0.165 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.316 F(o=-1.7,f=-0.32) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.64 K(o=-1.6,f=-5!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0138 F(o=-1.5!,f=-0.014) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= 0.101 (180deg=0.0717) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.188 -6.316 3.653 1.00 0.00 N ATOM 176 CA SER A 9 -9.190 -7.262 3.174 1.00 0.00 C ATOM 177 C SER A 9 -8.927 -7.645 1.721 1.00 0.00 C ATOM 178 O SER A 9 -8.216 -6.945 1.003 1.00 0.00 O ATOM 179 CB SER A 9 -10.590 -6.658 3.306 1.00 0.00 C ATOM 180 OG SER A 9 -10.930 -5.897 2.159 1.00 0.00 O ATOM 0 HA SER A 9 -9.127 -8.162 3.785 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.321 -7.454 3.447 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.634 -6.025 4.192 1.00 0.00 H new ATOM 0 HG SER A 9 -11.829 -5.524 2.269 1.00 0.00 H new ATOM 186 N SER A 10 -9.510 -8.763 1.295 1.00 0.00 N ATOM 187 CA SER A 10 -9.345 -9.239 -0.074 1.00 0.00 C ATOM 188 C SER A 10 -9.706 -8.151 -1.082 1.00 0.00 C ATOM 189 O SER A 10 -8.972 -7.910 -2.041 1.00 0.00 O ATOM 190 CB SER A 10 -10.213 -10.477 -0.312 1.00 0.00 C ATOM 191 OG SER A 10 -9.689 -11.274 -1.360 1.00 0.00 O ATOM 0 H SER A 10 -10.101 -9.355 1.879 1.00 0.00 H new ATOM 0 HA SER A 10 -8.297 -9.502 -0.214 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.270 -11.066 0.603 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.230 -10.170 -0.558 1.00 0.00 H new ATOM 0 HG SER A 10 -10.261 -12.059 -1.491 1.00 0.00 H new ATOM 197 N GLU A 11 -10.842 -7.499 -0.857 1.00 0.00 N ATOM 198 CA GLU A 11 -11.305 -6.437 -1.744 1.00 0.00 C ATOM 199 C GLU A 11 -10.349 -5.249 -1.720 1.00 0.00 C ATOM 200 O GLU A 11 -10.069 -4.644 -2.756 1.00 0.00 O ATOM 201 CB GLU A 11 -12.708 -5.982 -1.339 1.00 0.00 C ATOM 202 CG GLU A 11 -13.746 -7.091 -1.386 1.00 0.00 C ATOM 203 CD GLU A 11 -15.163 -6.566 -1.263 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.567 -5.743 -2.111 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.869 -6.980 -0.320 1.00 0.00 O ATOM 0 H GLU A 11 -11.460 -7.687 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.336 -6.835 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.671 -5.574 -0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.023 -5.173 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.645 -7.639 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.553 -7.799 -0.580 1.00 0.00 H new ATOM 212 N GLN A 12 -9.854 -4.920 -0.533 1.00 0.00 N ATOM 213 CA GLN A 12 -8.932 -3.801 -0.379 1.00 0.00 C ATOM 214 C GLN A 12 -7.607 -4.091 -1.072 1.00 0.00 C ATOM 215 O GLN A 12 -7.048 -3.228 -1.748 1.00 0.00 O ATOM 216 CB GLN A 12 -8.696 -3.509 1.103 1.00 0.00 C ATOM 217 CG GLN A 12 -9.891 -2.877 1.796 1.00 0.00 C ATOM 218 CD GLN A 12 -9.850 -3.044 3.303 1.00 0.00 C ATOM 219 OE1 GLN A 12 -8.999 -3.754 3.838 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.774 -2.386 3.996 1.00 0.00 N ATOM 0 H GLN A 12 -10.074 -5.410 0.334 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.380 -2.924 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.441 -4.439 1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.837 -2.846 1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.927 -1.815 1.553 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.807 -3.323 1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.460 -1.808 3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.797 -2.459 5.013 1.00 0.00 H new ATOM 229 N LEU A 13 -7.111 -5.312 -0.906 1.00 0.00 N ATOM 230 CA LEU A 13 -5.855 -5.707 -1.528 1.00 0.00 C ATOM 231 C LEU A 13 -5.999 -5.744 -3.043 1.00 0.00 C ATOM 232 O LEU A 13 -5.080 -5.376 -3.770 1.00 0.00 O ATOM 233 CB LEU A 13 -5.404 -7.080 -1.015 1.00 0.00 C ATOM 234 CG LEU A 13 -4.597 -7.087 0.293 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.633 -8.261 0.309 1.00 0.00 C ATOM 236 CD2 LEU A 13 -3.836 -5.782 0.486 1.00 0.00 C ATOM 0 H LEU A 13 -7.557 -6.041 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.099 -4.968 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.289 -7.700 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.803 -7.554 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.301 -7.190 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.067 -8.255 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.193 -9.193 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.946 -8.179 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.277 -5.822 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.145 -5.637 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.541 -4.951 0.520 1.00 0.00 H new ATOM 248 N ALA A 14 -7.162 -6.185 -3.513 1.00 0.00 N ATOM 249 CA ALA A 14 -7.424 -6.262 -4.944 1.00 0.00 C ATOM 250 C ALA A 14 -7.361 -4.879 -5.576 1.00 0.00 C ATOM 251 O ALA A 14 -6.698 -4.679 -6.594 1.00 0.00 O ATOM 252 CB ALA A 14 -8.781 -6.902 -5.199 1.00 0.00 C ATOM 0 H ALA A 14 -7.936 -6.494 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.654 -6.883 -5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.963 -6.953 -6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.793 -7.908 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.560 -6.304 -4.727 1.00 0.00 H new ATOM 258 N ARG A 15 -8.047 -3.924 -4.958 1.00 0.00 N ATOM 259 CA ARG A 15 -8.061 -2.555 -5.457 1.00 0.00 C ATOM 260 C ARG A 15 -6.664 -1.948 -5.378 1.00 0.00 C ATOM 261 O ARG A 15 -6.196 -1.309 -6.322 1.00 0.00 O ATOM 262 CB ARG A 15 -9.047 -1.705 -4.654 1.00 0.00 C ATOM 263 CG ARG A 15 -10.432 -1.628 -5.278 1.00 0.00 C ATOM 264 CD ARG A 15 -10.564 -0.425 -6.198 1.00 0.00 C ATOM 265 NE ARG A 15 -10.700 -0.819 -7.598 1.00 0.00 N ATOM 266 CZ ARG A 15 -10.928 0.038 -8.591 1.00 0.00 C ATOM 267 NH1 ARG A 15 -11.046 1.335 -8.342 1.00 0.00 N ATOM 268 NH2 ARG A 15 -11.037 -0.405 -9.836 1.00 0.00 N ATOM 0 H ARG A 15 -8.599 -4.072 -4.113 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.380 -2.571 -6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.133 -2.116 -3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.646 -0.696 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.630 -2.541 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -11.184 -1.569 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.431 0.165 -5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.689 0.216 -6.085 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.615 -1.809 -7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.962 1.680 -7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.221 1.987 -9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.946 -1.402 -10.032 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.212 0.251 -10.597 1.00 0.00 H new ATOM 282 N LEU A 16 -6.002 -2.161 -4.246 1.00 0.00 N ATOM 283 CA LEU A 16 -4.657 -1.645 -4.037 1.00 0.00 C ATOM 284 C LEU A 16 -3.679 -2.264 -5.031 1.00 0.00 C ATOM 285 O LEU A 16 -2.773 -1.594 -5.525 1.00 0.00 O ATOM 286 CB LEU A 16 -4.201 -1.926 -2.604 1.00 0.00 C ATOM 287 CG LEU A 16 -4.671 -0.910 -1.563 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.958 -1.596 -0.236 1.00 0.00 C ATOM 289 CD2 LEU A 16 -3.631 0.188 -1.384 1.00 0.00 C ATOM 0 H LEU A 16 -6.377 -2.689 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.674 -0.567 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.559 -2.914 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.112 -1.963 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.595 -0.455 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.291 -0.856 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.738 -2.345 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.051 -2.079 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.981 0.903 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.691 -0.252 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.475 0.700 -2.334 1.00 0.00 H new ATOM 301 N LYS A 17 -3.874 -3.547 -5.325 1.00 0.00 N ATOM 302 CA LYS A 17 -3.013 -4.255 -6.266 1.00 0.00 C ATOM 303 C LYS A 17 -3.121 -3.637 -7.654 1.00 0.00 C ATOM 304 O LYS A 17 -2.112 -3.382 -8.312 1.00 0.00 O ATOM 305 CB LYS A 17 -3.390 -5.737 -6.327 1.00 0.00 C ATOM 306 CG LYS A 17 -2.205 -6.661 -6.549 1.00 0.00 C ATOM 307 CD LYS A 17 -2.611 -8.122 -6.437 1.00 0.00 C ATOM 308 CE LYS A 17 -1.458 -8.985 -5.951 1.00 0.00 C ATOM 309 NZ LYS A 17 -1.633 -10.412 -6.340 1.00 0.00 N ATOM 0 H LYS A 17 -4.620 -4.116 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.984 -4.167 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.887 -6.015 -5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.111 -5.886 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.777 -6.475 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.428 -6.441 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.452 -8.215 -5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.952 -8.481 -7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.522 -8.608 -6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.380 -8.911 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.827 -10.968 -5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.513 -10.779 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.682 -10.486 -7.376 1.00 0.00 H new ATOM 323 N ARG A 18 -4.353 -3.395 -8.092 1.00 0.00 N ATOM 324 CA ARG A 18 -4.594 -2.801 -9.400 1.00 0.00 C ATOM 325 C ARG A 18 -3.943 -1.426 -9.493 1.00 0.00 C ATOM 326 O ARG A 18 -3.327 -1.086 -10.502 1.00 0.00 O ATOM 327 CB ARG A 18 -6.098 -2.691 -9.663 1.00 0.00 C ATOM 328 CG ARG A 18 -6.534 -3.326 -10.973 1.00 0.00 C ATOM 329 CD ARG A 18 -6.258 -2.411 -12.155 1.00 0.00 C ATOM 330 NE ARG A 18 -6.485 -3.083 -13.432 1.00 0.00 N ATOM 331 CZ ARG A 18 -6.672 -2.443 -14.584 1.00 0.00 C ATOM 332 NH1 ARG A 18 -6.658 -1.117 -14.625 1.00 0.00 N ATOM 333 NH2 ARG A 18 -6.873 -3.132 -15.699 1.00 0.00 N ATOM 0 H ARG A 18 -5.198 -3.601 -7.560 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.150 -3.446 -10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.638 -3.164 -8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.382 -1.639 -9.667 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.009 -4.271 -11.113 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.599 -3.556 -10.930 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.898 -1.531 -12.090 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.227 -2.060 -12.108 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.501 -4.103 -13.441 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.503 -0.582 -13.770 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.802 -0.633 -15.511 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.884 -4.152 -15.673 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.016 -2.642 -16.582 1.00 0.00 H new ATOM 347 N GLU A 19 -4.083 -0.640 -8.430 1.00 0.00 N ATOM 348 CA GLU A 19 -3.506 0.698 -8.389 1.00 0.00 C ATOM 349 C GLU A 19 -1.982 0.634 -8.404 1.00 0.00 C ATOM 350 O GLU A 19 -1.326 1.382 -9.130 1.00 0.00 O ATOM 351 CB GLU A 19 -3.985 1.445 -7.142 1.00 0.00 C ATOM 352 CG GLU A 19 -5.488 1.672 -7.110 1.00 0.00 C ATOM 353 CD GLU A 19 -5.854 3.138 -6.979 1.00 0.00 C ATOM 354 OE1 GLU A 19 -5.947 3.822 -8.020 1.00 0.00 O ATOM 355 OE2 GLU A 19 -6.051 3.602 -5.836 1.00 0.00 O ATOM 0 H GLU A 19 -4.591 -0.907 -7.587 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.838 1.237 -9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.692 0.882 -6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.479 2.409 -7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.932 1.271 -8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.918 1.118 -6.275 1.00 0.00 H new ATOM 362 N PHE A 20 -1.423 -0.263 -7.598 1.00 0.00 N ATOM 363 CA PHE A 20 0.025 -0.422 -7.520 1.00 0.00 C ATOM 364 C PHE A 20 0.595 -0.921 -8.843 1.00 0.00 C ATOM 365 O PHE A 20 1.717 -0.579 -9.216 1.00 0.00 O ATOM 366 CB PHE A 20 0.399 -1.390 -6.396 1.00 0.00 C ATOM 367 CG PHE A 20 1.882 -1.576 -6.242 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.588 -2.375 -7.127 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.570 -0.948 -5.216 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.952 -2.543 -6.992 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.934 -1.115 -5.076 1.00 0.00 C ATOM 372 CZ PHE A 20 4.626 -1.913 -5.965 1.00 0.00 C ATOM 0 H PHE A 20 -1.950 -0.890 -6.990 1.00 0.00 H new ATOM 0 HA PHE A 20 0.455 0.556 -7.306 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.014 -1.022 -5.457 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.064 -2.358 -6.590 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.066 -2.872 -7.931 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.034 -0.321 -4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.491 -3.167 -7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.459 -0.622 -4.271 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.693 -2.044 -5.857 1.00 0.00 H new ATOM 382 N ASN A 21 -0.184 -1.734 -9.550 1.00 0.00 N ATOM 383 CA ASN A 21 0.250 -2.277 -10.831 1.00 0.00 C ATOM 384 C ASN A 21 0.479 -1.157 -11.839 1.00 0.00 C ATOM 385 O ASN A 21 1.395 -1.225 -12.659 1.00 0.00 O ATOM 386 CB ASN A 21 -0.789 -3.264 -11.370 1.00 0.00 C ATOM 387 CG ASN A 21 -0.464 -4.701 -11.012 1.00 0.00 C ATOM 388 OD1 ASN A 21 0.676 -5.145 -11.156 1.00 0.00 O ATOM 389 ND2 ASN A 21 -1.464 -5.435 -10.542 1.00 0.00 N ATOM 0 H ASN A 21 -1.115 -2.030 -9.258 1.00 0.00 H new ATOM 0 HA ASN A 21 1.192 -2.804 -10.678 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.771 -3.007 -10.972 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.849 -3.168 -12.454 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.304 -6.409 -10.283 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.393 -5.026 -10.439 1.00 0.00 H new ATOM 396 N GLU A 22 -0.354 -0.127 -11.765 1.00 0.00 N ATOM 397 CA GLU A 22 -0.241 1.013 -12.665 1.00 0.00 C ATOM 398 C GLU A 22 0.805 2.002 -12.160 1.00 0.00 C ATOM 399 O GLU A 22 1.505 2.636 -12.950 1.00 0.00 O ATOM 400 CB GLU A 22 -1.594 1.713 -12.806 1.00 0.00 C ATOM 401 CG GLU A 22 -2.736 0.766 -13.139 1.00 0.00 C ATOM 402 CD GLU A 22 -3.887 1.462 -13.838 1.00 0.00 C ATOM 403 OE1 GLU A 22 -3.634 2.179 -14.828 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.042 1.290 -13.395 1.00 0.00 O ATOM 0 H GLU A 22 -1.116 -0.058 -11.090 1.00 0.00 H new ATOM 0 HA GLU A 22 0.074 0.645 -13.641 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.824 2.233 -11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.522 2.471 -13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.363 -0.038 -13.774 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.099 0.304 -12.221 1.00 0.00 H new ATOM 411 N ASN A 23 0.907 2.129 -10.840 1.00 0.00 N ATOM 412 CA ASN A 23 1.869 3.042 -10.233 1.00 0.00 C ATOM 413 C ASN A 23 2.132 2.675 -8.774 1.00 0.00 C ATOM 414 O ASN A 23 1.274 2.860 -7.911 1.00 0.00 O ATOM 415 CB ASN A 23 1.359 4.484 -10.326 1.00 0.00 C ATOM 416 CG ASN A 23 2.390 5.425 -10.919 1.00 0.00 C ATOM 417 OD1 ASN A 23 2.281 5.836 -12.074 1.00 0.00 O ATOM 418 ND2 ASN A 23 3.400 5.772 -10.128 1.00 0.00 N ATOM 0 H ASN A 23 0.336 1.612 -10.172 1.00 0.00 H new ATOM 0 HA ASN A 23 2.808 2.956 -10.781 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.456 4.508 -10.936 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.082 4.833 -9.331 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.124 6.403 -10.472 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.451 5.408 -9.177 1.00 0.00 H new ATOM 425 N ARG A 24 3.330 2.157 -8.506 1.00 0.00 N ATOM 426 CA ARG A 24 3.717 1.768 -7.151 1.00 0.00 C ATOM 427 C ARG A 24 3.990 2.986 -6.262 1.00 0.00 C ATOM 428 O ARG A 24 4.362 2.841 -5.098 1.00 0.00 O ATOM 429 CB ARG A 24 4.955 0.868 -7.188 1.00 0.00 C ATOM 430 CG ARG A 24 6.136 1.479 -7.927 1.00 0.00 C ATOM 431 CD ARG A 24 6.885 0.437 -8.741 1.00 0.00 C ATOM 432 NE ARG A 24 8.147 0.055 -8.112 1.00 0.00 N ATOM 433 CZ ARG A 24 8.848 -1.026 -8.450 1.00 0.00 C ATOM 434 NH1 ARG A 24 8.413 -1.834 -9.409 1.00 0.00 N ATOM 435 NH2 ARG A 24 9.987 -1.298 -7.827 1.00 0.00 N ATOM 0 H ARG A 24 4.050 1.997 -9.211 1.00 0.00 H new ATOM 0 HA ARG A 24 2.879 1.219 -6.721 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.257 0.639 -6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.691 -0.077 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.783 2.272 -8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.816 1.940 -7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.259 -0.447 -8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.081 0.829 -9.739 1.00 0.00 H new ATOM 0 HE ARG A 24 8.513 0.651 -7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.538 -1.628 -9.891 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.954 -2.660 -9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.325 -0.680 -7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.524 -2.126 -8.085 1.00 0.00 H new ATOM 449 N TYR A 25 3.802 4.183 -6.812 1.00 0.00 N ATOM 450 CA TYR A 25 4.025 5.415 -6.066 1.00 0.00 C ATOM 451 C TYR A 25 2.696 6.099 -5.773 1.00 0.00 C ATOM 452 O TYR A 25 1.918 6.376 -6.684 1.00 0.00 O ATOM 453 CB TYR A 25 4.935 6.360 -6.854 1.00 0.00 C ATOM 454 CG TYR A 25 6.207 5.712 -7.354 1.00 0.00 C ATOM 455 CD1 TYR A 25 7.046 5.025 -6.487 1.00 0.00 C ATOM 456 CD2 TYR A 25 6.569 5.793 -8.693 1.00 0.00 C ATOM 457 CE1 TYR A 25 8.211 4.435 -6.940 1.00 0.00 C ATOM 458 CE2 TYR A 25 7.732 5.205 -9.154 1.00 0.00 C ATOM 459 CZ TYR A 25 8.550 4.527 -8.273 1.00 0.00 C ATOM 460 OH TYR A 25 9.709 3.943 -8.729 1.00 0.00 O ATOM 0 H TYR A 25 3.495 4.324 -7.774 1.00 0.00 H new ATOM 0 HA TYR A 25 4.512 5.165 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.381 6.755 -7.706 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.196 7.209 -6.222 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.784 4.950 -5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.932 6.324 -9.385 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.853 3.904 -6.253 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.999 5.276 -10.198 1.00 0.00 H new ATOM 0 HH TYR A 25 9.798 4.100 -9.692 1.00 0.00 H new ATOM 470 N LEU A 26 2.438 6.362 -4.498 1.00 0.00 N ATOM 471 CA LEU A 26 1.194 7.005 -4.097 1.00 0.00 C ATOM 472 C LEU A 26 1.357 8.516 -3.985 1.00 0.00 C ATOM 473 O LEU A 26 2.423 9.067 -4.259 1.00 0.00 O ATOM 474 CB LEU A 26 0.709 6.447 -2.757 1.00 0.00 C ATOM 475 CG LEU A 26 -0.186 5.206 -2.830 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.777 4.913 -1.462 1.00 0.00 C ATOM 477 CD2 LEU A 26 -1.305 5.385 -3.846 1.00 0.00 C ATOM 0 H LEU A 26 3.070 6.141 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 26 0.455 6.792 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.581 6.206 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.164 7.233 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 26 0.431 4.367 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.412 4.029 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.028 4.734 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.371 5.765 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.920 4.486 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.921 6.238 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.876 5.559 -4.833 1.00 0.00 H new ATOM 489 N THR A 27 0.281 9.169 -3.569 1.00 0.00 N ATOM 490 CA THR A 27 0.260 10.613 -3.398 1.00 0.00 C ATOM 491 C THR A 27 -0.724 10.982 -2.298 1.00 0.00 C ATOM 492 O THR A 27 -1.500 10.141 -1.850 1.00 0.00 O ATOM 493 CB THR A 27 -0.143 11.300 -4.703 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.542 11.198 -4.907 1.00 0.00 O ATOM 495 CG2 THR A 27 0.545 10.725 -5.923 1.00 0.00 C ATOM 0 H THR A 27 -0.602 8.712 -3.341 1.00 0.00 H new ATOM 0 HA THR A 27 1.259 10.949 -3.121 1.00 0.00 H new ATOM 0 HB THR A 27 0.167 12.339 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.784 11.644 -5.745 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.213 11.259 -6.813 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.624 10.833 -5.817 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.294 9.669 -6.018 1.00 0.00 H new ATOM 503 N GLU A 28 -0.702 12.236 -1.866 1.00 0.00 N ATOM 504 CA GLU A 28 -1.615 12.684 -0.824 1.00 0.00 C ATOM 505 C GLU A 28 -3.061 12.416 -1.235 1.00 0.00 C ATOM 506 O GLU A 28 -3.833 11.822 -0.482 1.00 0.00 O ATOM 507 CB GLU A 28 -1.416 14.174 -0.542 1.00 0.00 C ATOM 508 CG GLU A 28 -1.868 14.596 0.846 1.00 0.00 C ATOM 509 CD GLU A 28 -1.000 15.692 1.434 1.00 0.00 C ATOM 510 OE1 GLU A 28 0.221 15.690 1.168 1.00 0.00 O ATOM 511 OE2 GLU A 28 -1.541 16.553 2.159 1.00 0.00 O ATOM 0 H GLU A 28 -0.069 12.954 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.399 12.125 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.361 14.420 -0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.965 14.752 -1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.901 14.942 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.852 13.730 1.508 1.00 0.00 H new ATOM 518 N ARG A 29 -3.412 12.855 -2.438 1.00 0.00 N ATOM 519 CA ARG A 29 -4.757 12.666 -2.966 1.00 0.00 C ATOM 520 C ARG A 29 -5.118 11.184 -3.063 1.00 0.00 C ATOM 521 O ARG A 29 -6.233 10.787 -2.722 1.00 0.00 O ATOM 522 CB ARG A 29 -4.882 13.325 -4.342 1.00 0.00 C ATOM 523 CG ARG A 29 -5.620 14.655 -4.313 1.00 0.00 C ATOM 524 CD ARG A 29 -4.881 15.686 -3.473 1.00 0.00 C ATOM 525 NE ARG A 29 -4.649 16.926 -4.211 1.00 0.00 N ATOM 526 CZ ARG A 29 -5.576 17.862 -4.400 1.00 0.00 C ATOM 527 NH1 ARG A 29 -6.798 17.704 -3.907 1.00 0.00 N ATOM 528 NH2 ARG A 29 -5.280 18.958 -5.084 1.00 0.00 N ATOM 0 H ARG A 29 -2.779 13.347 -3.069 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.455 13.138 -2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.885 13.481 -4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.402 12.644 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.737 15.029 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.622 14.507 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.457 15.902 -2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.926 15.273 -3.148 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.721 17.083 -4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.031 16.862 -3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.505 18.425 -4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.342 19.084 -5.465 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.990 19.676 -5.229 1.00 0.00 H new ATOM 542 N ARG A 30 -4.177 10.370 -3.540 1.00 0.00 N ATOM 543 CA ARG A 30 -4.415 8.937 -3.689 1.00 0.00 C ATOM 544 C ARG A 30 -4.548 8.256 -2.332 1.00 0.00 C ATOM 545 O ARG A 30 -5.389 7.376 -2.148 1.00 0.00 O ATOM 546 CB ARG A 30 -3.282 8.290 -4.486 1.00 0.00 C ATOM 547 CG ARG A 30 -3.207 8.758 -5.930 1.00 0.00 C ATOM 548 CD ARG A 30 -2.064 8.090 -6.677 1.00 0.00 C ATOM 549 NE ARG A 30 -2.541 7.235 -7.761 1.00 0.00 N ATOM 550 CZ ARG A 30 -1.775 6.812 -8.763 1.00 0.00 C ATOM 551 NH1 ARG A 30 -0.496 7.160 -8.822 1.00 0.00 N ATOM 552 NH2 ARG A 30 -2.290 6.037 -9.709 1.00 0.00 N ATOM 0 H ARG A 30 -3.248 10.677 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.353 8.809 -4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.334 8.506 -3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.410 7.208 -4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.149 8.539 -6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.076 9.840 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.402 8.854 -7.083 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.474 7.495 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.519 6.945 -7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.095 7.755 -8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.087 6.833 -9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.272 5.766 -9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.703 5.712 -10.478 1.00 0.00 H new ATOM 566 N ARG A 31 -3.716 8.670 -1.383 1.00 0.00 N ATOM 567 CA ARG A 31 -3.745 8.098 -0.045 1.00 0.00 C ATOM 568 C ARG A 31 -5.076 8.398 0.636 1.00 0.00 C ATOM 569 O ARG A 31 -5.772 7.493 1.097 1.00 0.00 O ATOM 570 CB ARG A 31 -2.591 8.653 0.793 1.00 0.00 C ATOM 571 CG ARG A 31 -1.640 7.585 1.305 1.00 0.00 C ATOM 572 CD ARG A 31 -0.435 8.201 1.997 1.00 0.00 C ATOM 573 NE ARG A 31 0.611 8.573 1.048 1.00 0.00 N ATOM 574 CZ ARG A 31 1.380 7.693 0.409 1.00 0.00 C ATOM 575 NH1 ARG A 31 1.220 6.392 0.614 1.00 0.00 N ATOM 576 NH2 ARG A 31 2.310 8.117 -0.437 1.00 0.00 N ATOM 0 H ARG A 31 -3.015 9.399 -1.516 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.633 7.017 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.030 9.369 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.001 9.200 1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.166 6.931 2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.306 6.964 0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.749 9.083 2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.032 7.493 2.721 1.00 0.00 H new ATOM 0 HE ARG A 31 0.761 9.565 0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.506 6.062 1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.811 5.722 0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.436 9.116 -0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.899 7.444 -0.927 1.00 0.00 H new ATOM 590 N GLN A 32 -5.422 9.679 0.690 1.00 0.00 N ATOM 591 CA GLN A 32 -6.669 10.112 1.309 1.00 0.00 C ATOM 592 C GLN A 32 -7.870 9.545 0.560 1.00 0.00 C ATOM 593 O GLN A 32 -8.890 9.211 1.165 1.00 0.00 O ATOM 594 CB GLN A 32 -6.746 11.640 1.334 1.00 0.00 C ATOM 595 CG GLN A 32 -7.825 12.181 2.258 1.00 0.00 C ATOM 596 CD GLN A 32 -8.649 13.280 1.614 1.00 0.00 C ATOM 597 OE1 GLN A 32 -8.516 14.454 1.960 1.00 0.00 O ATOM 598 NE2 GLN A 32 -9.506 12.903 0.673 1.00 0.00 N ATOM 0 H GLN A 32 -4.855 10.438 0.312 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.689 9.737 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.780 12.039 1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.930 12.003 0.323 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.484 11.366 2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.361 12.565 3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.583 11.918 0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.088 13.598 0.205 1.00 0.00 H new ATOM 607 N GLN A 33 -7.741 9.435 -0.758 1.00 0.00 N ATOM 608 CA GLN A 33 -8.814 8.904 -1.587 1.00 0.00 C ATOM 609 C GLN A 33 -9.040 7.428 -1.287 1.00 0.00 C ATOM 610 O GLN A 33 -10.159 7.006 -0.995 1.00 0.00 O ATOM 611 CB GLN A 33 -8.484 9.090 -3.070 1.00 0.00 C ATOM 612 CG GLN A 33 -8.848 10.465 -3.606 1.00 0.00 C ATOM 613 CD GLN A 33 -10.342 10.638 -3.800 1.00 0.00 C ATOM 614 OE1 GLN A 33 -10.941 11.582 -3.284 1.00 0.00 O ATOM 615 NE2 GLN A 33 -10.951 9.725 -4.547 1.00 0.00 N ATOM 0 H GLN A 33 -6.904 9.707 -1.274 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.727 9.453 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.418 8.921 -3.220 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.012 8.332 -3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.484 11.227 -2.917 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.341 10.626 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.415 8.959 -4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.955 9.789 -4.713 1.00 0.00 H new ATOM 624 N LEU A 34 -7.966 6.649 -1.352 1.00 0.00 N ATOM 625 CA LEU A 34 -8.043 5.220 -1.080 1.00 0.00 C ATOM 626 C LEU A 34 -8.508 4.972 0.351 1.00 0.00 C ATOM 627 O LEU A 34 -9.249 4.027 0.620 1.00 0.00 O ATOM 628 CB LEU A 34 -6.681 4.562 -1.308 1.00 0.00 C ATOM 629 CG LEU A 34 -6.429 4.070 -2.738 1.00 0.00 C ATOM 630 CD1 LEU A 34 -5.170 4.702 -3.316 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.330 2.551 -2.771 1.00 0.00 C ATOM 0 H LEU A 34 -7.032 6.984 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.768 4.779 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.901 5.276 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.584 3.717 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.274 4.374 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.013 4.337 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.282 5.786 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.313 4.436 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.151 2.220 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.506 2.226 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.262 2.118 -2.407 1.00 0.00 H new ATOM 643 N SER A 35 -8.072 5.834 1.264 1.00 0.00 N ATOM 644 CA SER A 35 -8.446 5.716 2.667 1.00 0.00 C ATOM 645 C SER A 35 -9.956 5.827 2.827 1.00 0.00 C ATOM 646 O SER A 35 -10.584 5.001 3.485 1.00 0.00 O ATOM 647 CB SER A 35 -7.752 6.798 3.496 1.00 0.00 C ATOM 648 OG SER A 35 -6.343 6.680 3.411 1.00 0.00 O ATOM 0 H SER A 35 -7.459 6.622 1.056 1.00 0.00 H new ATOM 0 HA SER A 35 -8.126 4.738 3.026 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.059 7.783 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.065 6.719 4.537 1.00 0.00 H new ATOM 0 HG SER A 35 -6.064 6.762 2.475 1.00 0.00 H new ATOM 654 N SER A 36 -10.529 6.858 2.217 1.00 0.00 N ATOM 655 CA SER A 36 -11.969 7.086 2.283 1.00 0.00 C ATOM 656 C SER A 36 -12.733 6.043 1.469 1.00 0.00 C ATOM 657 O SER A 36 -13.789 5.567 1.884 1.00 0.00 O ATOM 658 CB SER A 36 -12.306 8.489 1.777 1.00 0.00 C ATOM 659 OG SER A 36 -13.707 8.704 1.763 1.00 0.00 O ATOM 0 H SER A 36 -10.018 7.551 1.670 1.00 0.00 H new ATOM 0 HA SER A 36 -12.274 6.996 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.827 9.233 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.904 8.623 0.773 1.00 0.00 H new ATOM 0 HG SER A 36 -13.896 9.609 1.437 1.00 0.00 H new ATOM 665 N GLU A 37 -12.197 5.709 0.299 1.00 0.00 N ATOM 666 CA GLU A 37 -12.828 4.737 -0.592 1.00 0.00 C ATOM 667 C GLU A 37 -12.867 3.340 0.023 1.00 0.00 C ATOM 668 O GLU A 37 -13.933 2.739 0.151 1.00 0.00 O ATOM 669 CB GLU A 37 -12.085 4.692 -1.929 1.00 0.00 C ATOM 670 CG GLU A 37 -13.004 4.572 -3.134 1.00 0.00 C ATOM 671 CD GLU A 37 -12.529 5.402 -4.311 1.00 0.00 C ATOM 672 OE1 GLU A 37 -11.318 5.701 -4.376 1.00 0.00 O ATOM 673 OE2 GLU A 37 -13.367 5.750 -5.169 1.00 0.00 O ATOM 0 H GLU A 37 -11.324 6.098 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.857 5.059 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.483 5.595 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.395 3.848 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.070 3.526 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.009 4.887 -2.853 1.00 0.00 H new ATOM 680 N LEU A 38 -11.698 2.824 0.384 1.00 0.00 N ATOM 681 CA LEU A 38 -11.598 1.488 0.965 1.00 0.00 C ATOM 682 C LEU A 38 -11.832 1.507 2.475 1.00 0.00 C ATOM 683 O LEU A 38 -12.002 0.457 3.095 1.00 0.00 O ATOM 684 CB LEU A 38 -10.225 0.889 0.663 1.00 0.00 C ATOM 685 CG LEU A 38 -10.009 0.462 -0.790 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.566 0.031 -1.008 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.968 -0.658 -1.166 1.00 0.00 C ATOM 0 H LEU A 38 -10.806 3.309 0.285 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.376 0.873 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.461 1.620 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.074 0.022 1.306 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.213 1.316 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.429 -0.270 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.899 0.863 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.334 -0.809 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.800 -0.948 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.797 -1.516 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.995 -0.312 -1.048 1.00 0.00 H new ATOM 699 N GLY A 39 -11.836 2.698 3.062 1.00 0.00 N ATOM 700 CA GLY A 39 -12.044 2.815 4.494 1.00 0.00 C ATOM 701 C GLY A 39 -10.835 2.365 5.290 1.00 0.00 C ATOM 702 O GLY A 39 -10.973 1.729 6.335 1.00 0.00 O ATOM 0 H GLY A 39 -11.699 3.583 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.274 3.851 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.909 2.218 4.783 1.00 0.00 H new ATOM 706 N LEU A 40 -9.647 2.693 4.792 1.00 0.00 N ATOM 707 CA LEU A 40 -8.405 2.319 5.460 1.00 0.00 C ATOM 708 C LEU A 40 -7.633 3.554 5.912 1.00 0.00 C ATOM 709 O LEU A 40 -7.901 4.666 5.458 1.00 0.00 O ATOM 710 CB LEU A 40 -7.531 1.481 4.522 1.00 0.00 C ATOM 711 CG LEU A 40 -7.900 -0.001 4.440 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.661 -0.531 3.034 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.103 -0.804 5.456 1.00 0.00 C ATOM 0 H LEU A 40 -9.518 3.218 3.927 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.661 1.729 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.586 1.909 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.494 1.563 4.847 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.960 -0.107 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.929 -1.587 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.274 0.027 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.609 -0.413 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.378 -1.856 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.038 -0.692 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.321 -0.440 6.460 1.00 0.00 H new ATOM 725 N ASN A 41 -6.668 3.348 6.803 1.00 0.00 N ATOM 726 CA ASN A 41 -5.852 4.443 7.311 1.00 0.00 C ATOM 727 C ASN A 41 -4.714 4.756 6.344 1.00 0.00 C ATOM 728 O ASN A 41 -4.045 3.850 5.845 1.00 0.00 O ATOM 729 CB ASN A 41 -5.289 4.093 8.691 1.00 0.00 C ATOM 730 CG ASN A 41 -5.475 5.217 9.693 1.00 0.00 C ATOM 731 OD1 ASN A 41 -6.600 5.573 10.042 1.00 0.00 O ATOM 732 ND2 ASN A 41 -4.368 5.783 10.160 1.00 0.00 N ATOM 0 H ASN A 41 -6.433 2.433 7.187 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.483 5.327 7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.779 3.193 9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.227 3.863 8.600 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.431 6.545 10.836 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.455 5.456 9.843 1.00 0.00 H new ATOM 739 N GLU A 42 -4.499 6.042 6.081 1.00 0.00 N ATOM 740 CA GLU A 42 -3.443 6.472 5.167 1.00 0.00 C ATOM 741 C GLU A 42 -2.109 5.825 5.525 1.00 0.00 C ATOM 742 O GLU A 42 -1.322 5.475 4.645 1.00 0.00 O ATOM 743 CB GLU A 42 -3.307 7.995 5.197 1.00 0.00 C ATOM 744 CG GLU A 42 -4.450 8.723 4.508 1.00 0.00 C ATOM 745 CD GLU A 42 -4.262 10.228 4.501 1.00 0.00 C ATOM 746 OE1 GLU A 42 -3.132 10.684 4.230 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.247 10.950 4.767 1.00 0.00 O ATOM 0 H GLU A 42 -5.041 6.805 6.487 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.718 6.155 4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.250 8.326 6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.368 8.277 4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.537 8.367 3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.386 8.480 5.010 1.00 0.00 H new ATOM 754 N ALA A 43 -1.863 5.666 6.820 1.00 0.00 N ATOM 755 CA ALA A 43 -0.626 5.057 7.293 1.00 0.00 C ATOM 756 C ALA A 43 -0.531 3.598 6.856 1.00 0.00 C ATOM 757 O ALA A 43 0.543 3.115 6.496 1.00 0.00 O ATOM 758 CB ALA A 43 -0.530 5.165 8.808 1.00 0.00 C ATOM 0 H ALA A 43 -2.504 5.950 7.561 1.00 0.00 H new ATOM 0 HA ALA A 43 0.210 5.597 6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.399 4.706 9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.544 6.215 9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.376 4.651 9.264 1.00 0.00 H new ATOM 764 N GLN A 44 -1.663 2.903 6.886 1.00 0.00 N ATOM 765 CA GLN A 44 -1.704 1.500 6.493 1.00 0.00 C ATOM 766 C GLN A 44 -1.482 1.359 4.993 1.00 0.00 C ATOM 767 O GLN A 44 -0.710 0.511 4.546 1.00 0.00 O ATOM 768 CB GLN A 44 -3.045 0.875 6.888 1.00 0.00 C ATOM 769 CG GLN A 44 -2.988 0.081 8.183 1.00 0.00 C ATOM 770 CD GLN A 44 -2.929 0.970 9.410 1.00 0.00 C ATOM 771 OE1 GLN A 44 -4.049 1.604 9.736 1.00 0.00 O flip ATOM 772 NE2 GLN A 44 -1.889 1.086 10.057 1.00 0.00 N flip ATOM 0 H GLN A 44 -2.562 3.287 7.178 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.904 0.974 7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.789 1.665 6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.382 0.220 6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.864 -0.564 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.114 -0.570 8.168 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.051 0.580 9.770 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.865 1.688 10.880 1.00 0.00 H new ATOM 781 N ILE A 45 -2.154 2.203 4.219 1.00 0.00 N ATOM 782 CA ILE A 45 -2.017 2.175 2.771 1.00 0.00 C ATOM 783 C ILE A 45 -0.595 2.543 2.365 1.00 0.00 C ATOM 784 O ILE A 45 -0.006 1.916 1.486 1.00 0.00 O ATOM 785 CB ILE A 45 -3.006 3.141 2.089 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.425 2.913 2.616 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.961 2.968 0.577 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.188 4.195 2.869 1.00 0.00 C ATOM 0 H ILE A 45 -2.797 2.913 4.570 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.243 1.160 2.443 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.712 4.163 2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.977 2.306 1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.372 2.342 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.665 3.657 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.954 3.179 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.232 1.944 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.185 3.958 3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.658 4.794 3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.272 4.758 1.939 1.00 0.00 H new ATOM 800 N LYS A 46 -0.048 3.565 3.021 1.00 0.00 N ATOM 801 CA LYS A 46 1.309 4.016 2.737 1.00 0.00 C ATOM 802 C LYS A 46 2.316 2.889 2.955 1.00 0.00 C ATOM 803 O LYS A 46 3.194 2.659 2.123 1.00 0.00 O ATOM 804 CB LYS A 46 1.667 5.210 3.623 1.00 0.00 C ATOM 805 CG LYS A 46 2.990 5.865 3.259 1.00 0.00 C ATOM 806 CD LYS A 46 3.451 6.828 4.342 1.00 0.00 C ATOM 807 CE LYS A 46 2.953 8.240 4.080 1.00 0.00 C ATOM 808 NZ LYS A 46 3.484 9.212 5.076 1.00 0.00 N ATOM 0 H LYS A 46 -0.524 4.094 3.751 1.00 0.00 H new ATOM 0 HA LYS A 46 1.351 4.320 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.873 5.953 3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.708 4.882 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.748 5.097 3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.885 6.400 2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.088 6.487 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.540 6.828 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.250 8.549 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.863 8.251 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.120 10.162 4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.180 8.932 6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.523 9.221 5.033 1.00 0.00 H new ATOM 822 N ILE A 47 2.178 2.186 4.077 1.00 0.00 N ATOM 823 CA ILE A 47 3.076 1.083 4.396 1.00 0.00 C ATOM 824 C ILE A 47 2.907 -0.059 3.399 1.00 0.00 C ATOM 825 O ILE A 47 3.878 -0.710 3.013 1.00 0.00 O ATOM 826 CB ILE A 47 2.833 0.550 5.825 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.045 1.665 6.851 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.750 -0.627 6.124 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.328 1.426 8.162 1.00 0.00 C ATOM 0 H ILE A 47 1.456 2.361 4.776 1.00 0.00 H new ATOM 0 HA ILE A 47 4.093 1.471 4.335 1.00 0.00 H new ATOM 0 HB ILE A 47 1.801 0.205 5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.112 1.771 7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.703 2.608 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.562 -0.987 7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.556 -1.429 5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.789 -0.309 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.524 2.256 8.840 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.256 1.350 7.982 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.688 0.499 8.610 1.00 0.00 H new ATOM 841 N TRP A 48 1.666 -0.297 2.987 1.00 0.00 N ATOM 842 CA TRP A 48 1.368 -1.359 2.034 1.00 0.00 C ATOM 843 C TRP A 48 2.082 -1.117 0.709 1.00 0.00 C ATOM 844 O TRP A 48 2.699 -2.022 0.150 1.00 0.00 O ATOM 845 CB TRP A 48 -0.140 -1.459 1.802 1.00 0.00 C ATOM 846 CG TRP A 48 -0.528 -2.611 0.928 1.00 0.00 C ATOM 847 CD1 TRP A 48 -0.828 -3.881 1.333 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.657 -2.602 -0.499 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.134 -4.662 0.246 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.038 -3.900 -0.889 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.489 -1.624 -1.485 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.253 -4.245 -2.221 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.702 -1.968 -2.807 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.081 -3.269 -3.164 1.00 0.00 C ATOM 0 H TRP A 48 0.851 0.231 3.298 1.00 0.00 H new ATOM 0 HA TRP A 48 1.726 -2.299 2.454 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.643 -1.556 2.764 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.493 -0.533 1.349 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.825 -4.221 2.358 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.391 -5.649 0.278 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.198 -0.619 -1.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.545 -5.247 -2.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.574 -1.222 -3.577 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.241 -3.506 -4.205 1.00 0.00 H new ATOM 865 N PHE A 49 1.992 0.112 0.211 1.00 0.00 N ATOM 866 CA PHE A 49 2.629 0.473 -1.048 1.00 0.00 C ATOM 867 C PHE A 49 4.146 0.355 -0.938 1.00 0.00 C ATOM 868 O PHE A 49 4.806 -0.169 -1.836 1.00 0.00 O ATOM 869 CB PHE A 49 2.239 1.896 -1.454 1.00 0.00 C ATOM 870 CG PHE A 49 1.169 1.945 -2.508 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.171 1.932 -2.156 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.504 2.003 -3.851 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.157 1.977 -3.125 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.525 2.047 -4.823 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.808 2.035 -4.460 1.00 0.00 C ATOM 0 H PHE A 49 1.484 0.874 0.661 1.00 0.00 H new ATOM 0 HA PHE A 49 2.283 -0.219 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.894 2.436 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.124 2.416 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.449 1.886 -1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.544 2.014 -4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.198 1.967 -2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.801 2.091 -5.866 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.576 2.071 -5.219 1.00 0.00 H new ATOM 885 N GLN A 50 4.694 0.843 0.171 1.00 0.00 N ATOM 886 CA GLN A 50 6.133 0.790 0.398 1.00 0.00 C ATOM 887 C GLN A 50 6.614 -0.656 0.483 1.00 0.00 C ATOM 888 O GLN A 50 7.647 -1.011 -0.085 1.00 0.00 O ATOM 889 CB GLN A 50 6.497 1.539 1.681 1.00 0.00 C ATOM 890 CG GLN A 50 6.876 2.992 1.448 1.00 0.00 C ATOM 891 CD GLN A 50 5.990 3.957 2.213 1.00 0.00 C ATOM 892 OE1 GLN A 50 5.372 4.847 1.629 1.00 0.00 O ATOM 893 NE2 GLN A 50 5.925 3.784 3.528 1.00 0.00 N ATOM 0 H GLN A 50 4.163 1.279 0.925 1.00 0.00 H new ATOM 0 HA GLN A 50 6.628 1.271 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.652 1.498 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.328 1.028 2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.914 3.145 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.813 3.214 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.454 3.033 3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.346 4.402 4.096 1.00 0.00 H new ATOM 902 N ASN A 51 5.859 -1.486 1.196 1.00 0.00 N ATOM 903 CA ASN A 51 6.209 -2.893 1.352 1.00 0.00 C ATOM 904 C ASN A 51 6.141 -3.619 0.013 1.00 0.00 C ATOM 905 O ASN A 51 7.009 -4.429 -0.311 1.00 0.00 O ATOM 906 CB ASN A 51 5.274 -3.565 2.360 1.00 0.00 C ATOM 907 CG ASN A 51 5.912 -3.714 3.728 1.00 0.00 C ATOM 908 OD1 ASN A 51 5.481 -2.889 4.674 1.00 0.00 O flip ATOM 909 ND2 ASN A 51 6.781 -4.561 3.931 1.00 0.00 N flip ATOM 0 H ASN A 51 5.002 -1.209 1.674 1.00 0.00 H new ATOM 0 HA ASN A 51 7.232 -2.950 1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.359 -2.979 2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.987 -4.548 1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.082 -5.175 3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.200 -4.650 4.857 1.00 0.00 H new ATOM 916 N LYS A 52 5.104 -3.320 -0.762 1.00 0.00 N ATOM 917 CA LYS A 52 4.921 -3.940 -2.068 1.00 0.00 C ATOM 918 C LYS A 52 6.008 -3.492 -3.039 1.00 0.00 C ATOM 919 O LYS A 52 6.370 -4.224 -3.960 1.00 0.00 O ATOM 920 CB LYS A 52 3.534 -3.605 -2.625 1.00 0.00 C ATOM 921 CG LYS A 52 2.808 -4.800 -3.221 1.00 0.00 C ATOM 922 CD LYS A 52 2.630 -5.916 -2.203 1.00 0.00 C ATOM 923 CE LYS A 52 1.339 -5.757 -1.419 1.00 0.00 C ATOM 924 NZ LYS A 52 1.293 -6.662 -0.238 1.00 0.00 N ATOM 0 H LYS A 52 4.377 -2.651 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 52 4.998 -5.021 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.924 -3.182 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.636 -2.835 -3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.832 -4.485 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.367 -5.175 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.630 -6.879 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.476 -5.920 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.240 -4.723 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.490 -5.966 -2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.514 -6.376 0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.140 -7.640 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.193 -6.603 0.280 1.00 0.00 H new ATOM 938 N ARG A 53 6.531 -2.289 -2.825 1.00 0.00 N ATOM 939 CA ARG A 53 7.582 -1.751 -3.680 1.00 0.00 C ATOM 940 C ARG A 53 8.897 -2.491 -3.448 1.00 0.00 C ATOM 941 O ARG A 53 9.680 -2.692 -4.376 1.00 0.00 O ATOM 942 CB ARG A 53 7.767 -0.254 -3.415 1.00 0.00 C ATOM 943 CG ARG A 53 7.225 0.632 -4.526 1.00 0.00 C ATOM 944 CD ARG A 53 8.212 1.725 -4.903 1.00 0.00 C ATOM 945 NE ARG A 53 8.755 2.401 -3.725 1.00 0.00 N ATOM 946 CZ ARG A 53 10.053 2.454 -3.422 1.00 0.00 C ATOM 947 NH1 ARG A 53 10.958 1.873 -4.202 1.00 0.00 N ATOM 948 NH2 ARG A 53 10.448 3.095 -2.330 1.00 0.00 N ATOM 0 H ARG A 53 6.244 -1.669 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 53 7.284 -1.892 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.270 0.005 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.828 -0.046 -3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.004 0.023 -5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.286 1.084 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.028 1.293 -5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.718 2.455 -5.544 1.00 0.00 H new ATOM 0 HE ARG A 53 8.099 2.862 -3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.663 1.379 -5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.947 1.921 -3.959 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.760 3.545 -1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.439 3.138 -2.094 1.00 0.00 H new