USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 HIS : no HE2:sc= -5.47! C(o=-5.5!,f=-7.3!) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -136:sc= -1.65! (180deg=-3.79!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0477 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 81:sc= 0.493 USER MOD Single : A 42 GLN : amide:sc= -0.0429 K(o=-0.043,f=-0.92) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc=-0.00214 (180deg=-0.0824) USER MOD Single : A 52 THR OG1 : rot 102:sc= 0.382 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.00979 K(o=-0.0098,f=-0.57) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 12 -7.349 7.770 10.498 1.00 0.00 N ATOM 133 CA LYS A 12 -6.035 8.099 9.958 1.00 0.00 C ATOM 134 C LYS A 12 -6.049 8.065 8.433 1.00 0.00 C ATOM 135 O LYS A 12 -5.448 8.916 7.778 1.00 0.00 O ATOM 136 CB LYS A 12 -4.983 7.124 10.492 1.00 0.00 C ATOM 137 CG LYS A 12 -4.345 7.571 11.795 1.00 0.00 C ATOM 138 CD LYS A 12 -3.174 6.681 12.177 1.00 0.00 C ATOM 139 CE LYS A 12 -1.886 7.137 11.509 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.768 6.615 10.119 1.00 0.00 N ATOM 0 HA LYS A 12 -5.780 9.109 10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.446 6.148 10.640 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.204 6.996 9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.004 8.602 11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.090 7.555 12.590 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.047 6.690 13.259 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.389 5.652 11.890 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.851 8.226 11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.033 6.800 12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.801 6.266 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.444 5.837 9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.976 7.377 9.443 1.00 0.00 H new ATOM 154 N PHE A 13 -6.739 7.076 7.875 1.00 0.00 N ATOM 155 CA PHE A 13 -6.831 6.932 6.426 1.00 0.00 C ATOM 156 C PHE A 13 -8.288 6.926 5.972 1.00 0.00 C ATOM 157 O PHE A 13 -9.052 6.024 6.313 1.00 0.00 O ATOM 158 CB PHE A 13 -6.140 5.643 5.976 1.00 0.00 C ATOM 159 CG PHE A 13 -4.807 5.418 6.631 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.718 6.210 6.305 1.00 0.00 C ATOM 161 CD2 PHE A 13 -4.643 4.415 7.572 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.490 6.004 6.905 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.418 4.205 8.176 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.340 5.001 7.842 1.00 0.00 C ATOM 0 H PHE A 13 -7.242 6.363 8.403 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.329 7.784 5.968 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.791 4.796 6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.005 5.671 4.895 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.830 6.997 5.574 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.483 3.790 7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.648 6.627 6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.304 3.419 8.908 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.382 4.839 8.313 1.00 0.00 H new ATOM 174 N ALA A 14 -8.665 7.941 5.201 1.00 0.00 N ATOM 175 CA ALA A 14 -10.029 8.053 4.699 1.00 0.00 C ATOM 176 C ALA A 14 -10.314 6.989 3.644 1.00 0.00 C ATOM 177 O ALA A 14 -9.399 6.487 2.992 1.00 0.00 O ATOM 178 CB ALA A 14 -10.268 9.443 4.127 1.00 0.00 C ATOM 0 H ALA A 14 -8.045 8.697 4.911 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.712 7.893 5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.290 9.513 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.113 10.189 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.572 9.624 3.308 1.00 0.00 H new ATOM 184 N ASP A 15 -11.589 6.650 3.483 1.00 0.00 N ATOM 185 CA ASP A 15 -11.995 5.645 2.507 1.00 0.00 C ATOM 186 C ASP A 15 -11.713 6.123 1.086 1.00 0.00 C ATOM 187 O ASP A 15 -11.935 7.287 0.756 1.00 0.00 O ATOM 188 CB ASP A 15 -13.482 5.323 2.664 1.00 0.00 C ATOM 189 CG ASP A 15 -13.967 4.316 1.641 1.00 0.00 C ATOM 190 OD1 ASP A 15 -13.244 3.328 1.390 1.00 0.00 O ATOM 191 OD2 ASP A 15 -15.070 4.514 1.090 1.00 0.00 O ATOM 0 H ASP A 15 -12.358 7.056 4.015 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.414 4.741 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.663 4.934 3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.062 6.241 2.569 1.00 0.00 H new ATOM 196 N GLY A 16 -11.220 5.215 0.249 1.00 0.00 N ATOM 197 CA GLY A 16 -10.914 5.563 -1.126 1.00 0.00 C ATOM 198 C GLY A 16 -9.572 6.252 -1.265 1.00 0.00 C ATOM 199 O GLY A 16 -9.062 6.414 -2.373 1.00 0.00 O ATOM 0 H GLY A 16 -11.027 4.245 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.920 4.660 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.696 6.215 -1.515 1.00 0.00 H new ATOM 203 N GLU A 17 -8.998 6.661 -0.137 1.00 0.00 N ATOM 204 CA GLU A 17 -7.708 7.339 -0.139 1.00 0.00 C ATOM 205 C GLU A 17 -6.594 6.388 -0.567 1.00 0.00 C ATOM 206 O GLU A 17 -6.624 5.198 -0.253 1.00 0.00 O ATOM 207 CB GLU A 17 -7.403 7.908 1.248 1.00 0.00 C ATOM 208 CG GLU A 17 -6.504 9.132 1.220 1.00 0.00 C ATOM 209 CD GLU A 17 -6.995 10.195 0.256 1.00 0.00 C ATOM 210 OE1 GLU A 17 -8.221 10.424 0.199 1.00 0.00 O ATOM 211 OE2 GLU A 17 -6.151 10.797 -0.441 1.00 0.00 O ATOM 0 H GLU A 17 -9.407 6.534 0.789 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.759 8.158 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.341 8.168 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.930 7.134 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.443 9.556 2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.495 8.831 0.939 1.00 0.00 H new ATOM 218 N VAL A 18 -5.611 6.922 -1.285 1.00 0.00 N ATOM 219 CA VAL A 18 -4.486 6.122 -1.756 1.00 0.00 C ATOM 220 C VAL A 18 -3.287 6.258 -0.824 1.00 0.00 C ATOM 221 O VAL A 18 -2.608 7.285 -0.815 1.00 0.00 O ATOM 222 CB VAL A 18 -4.065 6.530 -3.180 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.916 5.660 -3.667 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.249 6.443 -4.131 1.00 0.00 C ATOM 0 H VAL A 18 -5.571 7.905 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.818 5.084 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.722 7.564 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.632 5.963 -4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.063 5.777 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.229 4.616 -3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.933 6.735 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.624 5.420 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.039 7.112 -3.790 1.00 0.00 H new ATOM 234 N VAL A 19 -3.032 5.215 -0.041 1.00 0.00 N ATOM 235 CA VAL A 19 -1.913 5.216 0.894 1.00 0.00 C ATOM 236 C VAL A 19 -1.009 4.009 0.671 1.00 0.00 C ATOM 237 O VAL A 19 -1.244 3.202 -0.229 1.00 0.00 O ATOM 238 CB VAL A 19 -2.402 5.215 2.354 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.175 6.490 2.660 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.255 3.986 2.629 1.00 0.00 C ATOM 0 H VAL A 19 -3.585 4.358 -0.035 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.347 6.129 0.709 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.532 5.180 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.513 6.471 3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.528 7.354 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.038 6.560 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.592 4.002 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.120 3.988 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.665 3.087 2.453 1.00 0.00 H new ATOM 250 N ARG A 20 0.025 3.891 1.497 1.00 0.00 N ATOM 251 CA ARG A 20 0.966 2.782 1.390 1.00 0.00 C ATOM 252 C ARG A 20 0.736 1.765 2.505 1.00 0.00 C ATOM 253 O ARG A 20 0.723 2.114 3.684 1.00 0.00 O ATOM 254 CB ARG A 20 2.404 3.298 1.446 1.00 0.00 C ATOM 255 CG ARG A 20 2.683 4.429 0.469 1.00 0.00 C ATOM 256 CD ARG A 20 3.043 3.898 -0.910 1.00 0.00 C ATOM 257 NE ARG A 20 3.925 4.810 -1.634 1.00 0.00 N ATOM 258 CZ ARG A 20 5.168 5.084 -1.258 1.00 0.00 C ATOM 259 NH1 ARG A 20 5.675 4.520 -0.170 1.00 0.00 N ATOM 260 NH2 ARG A 20 5.909 5.924 -1.969 1.00 0.00 N ATOM 0 H ARG A 20 0.233 4.549 2.248 1.00 0.00 H new ATOM 0 HA ARG A 20 0.801 2.290 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.619 3.642 2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.086 2.473 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.806 5.072 0.395 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.499 5.045 0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.529 2.927 -0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.132 3.740 -1.487 1.00 0.00 H new ATOM 0 HE ARG A 20 3.566 5.261 -2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.109 3.874 0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.631 4.732 0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.524 6.361 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.864 6.133 -1.678 1.00 0.00 H new ATOM 274 N GLY A 21 0.554 0.505 2.121 1.00 0.00 N ATOM 275 CA GLY A 21 0.326 -0.543 3.099 1.00 0.00 C ATOM 276 C GLY A 21 1.502 -1.493 3.215 1.00 0.00 C ATOM 277 O GLY A 21 2.184 -1.770 2.228 1.00 0.00 O ATOM 0 H GLY A 21 0.560 0.191 1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.130 -0.092 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.566 -1.106 2.823 1.00 0.00 H new ATOM 281 N ARG A 22 1.740 -1.992 4.423 1.00 0.00 N ATOM 282 CA ARG A 22 2.843 -2.914 4.665 1.00 0.00 C ATOM 283 C ARG A 22 2.387 -4.361 4.506 1.00 0.00 C ATOM 284 O ARG A 22 1.756 -4.925 5.400 1.00 0.00 O ATOM 285 CB ARG A 22 3.417 -2.700 6.067 1.00 0.00 C ATOM 286 CG ARG A 22 4.557 -3.645 6.409 1.00 0.00 C ATOM 287 CD ARG A 22 5.170 -3.312 7.760 1.00 0.00 C ATOM 288 NE ARG A 22 4.186 -3.370 8.837 1.00 0.00 N ATOM 289 CZ ARG A 22 4.506 -3.372 10.126 1.00 0.00 C ATOM 290 NH1 ARG A 22 5.778 -3.319 10.497 1.00 0.00 N ATOM 291 NH2 ARG A 22 3.552 -3.426 11.048 1.00 0.00 N ATOM 0 H ARG A 22 1.184 -1.773 5.250 1.00 0.00 H new ATOM 0 HA ARG A 22 3.620 -2.713 3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.770 -1.672 6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.620 -2.826 6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.190 -4.671 6.418 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.323 -3.587 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.981 -4.009 7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.609 -2.315 7.723 1.00 0.00 H new ATOM 0 HE ARG A 22 3.198 -3.411 8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.514 -3.277 9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.021 -3.321 11.488 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.572 -3.466 10.767 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.799 -3.428 12.038 1.00 0.00 H new ATOM 305 N TRP A 23 2.709 -4.956 3.363 1.00 0.00 N ATOM 306 CA TRP A 23 2.332 -6.337 3.087 1.00 0.00 C ATOM 307 C TRP A 23 2.386 -7.180 4.356 1.00 0.00 C ATOM 308 O TRP A 23 3.295 -7.052 5.176 1.00 0.00 O ATOM 309 CB TRP A 23 3.253 -6.936 2.022 1.00 0.00 C ATOM 310 CG TRP A 23 2.679 -8.150 1.355 1.00 0.00 C ATOM 311 CD1 TRP A 23 3.045 -9.449 1.564 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.639 -8.176 0.372 1.00 0.00 C ATOM 313 NE1 TRP A 23 2.296 -10.282 0.768 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.425 -9.526 0.028 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.867 -7.193 -0.251 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.472 -9.913 -0.910 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.078 -7.578 -1.182 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.270 -8.928 -1.504 1.00 0.00 C ATOM 0 H TRP A 23 3.230 -4.503 2.612 1.00 0.00 H new ATOM 0 HA TRP A 23 1.308 -6.340 2.715 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.462 -6.179 1.266 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.206 -7.199 2.482 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.810 -9.774 2.253 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.376 -11.298 0.734 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.006 -6.150 -0.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.323 -10.953 -1.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.679 -6.825 -1.670 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.018 -9.197 -2.235 1.00 0.00 H new ATOM 329 N PRO A 24 1.391 -8.064 4.523 1.00 0.00 N ATOM 330 CA PRO A 24 1.304 -8.947 5.690 1.00 0.00 C ATOM 331 C PRO A 24 2.388 -10.019 5.689 1.00 0.00 C ATOM 332 O PRO A 24 2.454 -10.850 6.593 1.00 0.00 O ATOM 333 CB PRO A 24 -0.080 -9.585 5.550 1.00 0.00 C ATOM 334 CG PRO A 24 -0.378 -9.528 4.091 1.00 0.00 C ATOM 335 CD PRO A 24 0.275 -8.271 3.585 1.00 0.00 C ATOM 0 HA PRO A 24 1.445 -8.403 6.624 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.081 -10.612 5.914 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.827 -9.041 6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.015 -10.406 3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.453 -9.509 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.628 -8.386 2.560 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.417 -7.429 3.591 1.00 0.00 H new ATOM 343 N GLY A 25 3.238 -9.994 4.666 1.00 0.00 N ATOM 344 CA GLY A 25 4.308 -10.969 4.567 1.00 0.00 C ATOM 345 C GLY A 25 5.680 -10.341 4.716 1.00 0.00 C ATOM 346 O GLY A 25 6.539 -10.872 5.420 1.00 0.00 O ATOM 0 H GLY A 25 3.204 -9.316 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.175 -11.730 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.246 -11.475 3.604 1.00 0.00 H new ATOM 350 N SER A 26 5.887 -9.209 4.052 1.00 0.00 N ATOM 351 CA SER A 26 7.166 -8.511 4.110 1.00 0.00 C ATOM 352 C SER A 26 7.041 -7.212 4.900 1.00 0.00 C ATOM 353 O SER A 26 5.956 -6.853 5.358 1.00 0.00 O ATOM 354 CB SER A 26 7.674 -8.215 2.697 1.00 0.00 C ATOM 355 OG SER A 26 9.090 -8.183 2.661 1.00 0.00 O ATOM 0 H SER A 26 5.185 -8.755 3.467 1.00 0.00 H new ATOM 0 HA SER A 26 7.882 -9.157 4.618 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.307 -8.976 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.277 -7.259 2.357 1.00 0.00 H new ATOM 0 HG SER A 26 9.390 -7.994 1.747 1.00 0.00 H new ATOM 361 N SER A 27 8.160 -6.512 5.056 1.00 0.00 N ATOM 362 CA SER A 27 8.178 -5.254 5.794 1.00 0.00 C ATOM 363 C SER A 27 8.302 -4.068 4.843 1.00 0.00 C ATOM 364 O SER A 27 8.858 -3.028 5.198 1.00 0.00 O ATOM 365 CB SER A 27 9.334 -5.242 6.795 1.00 0.00 C ATOM 366 OG SER A 27 9.242 -6.335 7.693 1.00 0.00 O ATOM 0 H SER A 27 9.066 -6.794 4.681 1.00 0.00 H new ATOM 0 HA SER A 27 7.236 -5.166 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.283 -5.285 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.326 -4.306 7.354 1.00 0.00 H new ATOM 0 HG SER A 27 9.993 -6.306 8.322 1.00 0.00 H new ATOM 372 N LEU A 28 7.780 -4.231 3.632 1.00 0.00 N ATOM 373 CA LEU A 28 7.832 -3.175 2.627 1.00 0.00 C ATOM 374 C LEU A 28 6.455 -2.551 2.422 1.00 0.00 C ATOM 375 O LEU A 28 5.431 -3.214 2.587 1.00 0.00 O ATOM 376 CB LEU A 28 8.356 -3.729 1.302 1.00 0.00 C ATOM 377 CG LEU A 28 9.852 -4.039 1.248 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.151 -5.044 0.146 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.654 -2.762 1.039 1.00 0.00 C ATOM 0 H LEU A 28 7.316 -5.085 3.322 1.00 0.00 H new ATOM 0 HA LEU A 28 8.512 -2.401 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.808 -4.642 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.126 -3.011 0.515 1.00 0.00 H new ATOM 0 HG LEU A 28 10.146 -4.478 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.221 -5.252 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.606 -5.968 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.841 -4.633 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.717 -3.002 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.356 -2.294 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.465 -2.074 1.863 1.00 0.00 H new ATOM 391 N TYR A 29 6.438 -1.273 2.059 1.00 0.00 N ATOM 392 CA TYR A 29 5.187 -0.560 1.831 1.00 0.00 C ATOM 393 C TYR A 29 4.952 -0.336 0.341 1.00 0.00 C ATOM 394 O TYR A 29 5.842 0.119 -0.379 1.00 0.00 O ATOM 395 CB TYR A 29 5.201 0.783 2.564 1.00 0.00 C ATOM 396 CG TYR A 29 5.329 0.652 4.065 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.546 0.330 4.653 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.233 0.852 4.895 1.00 0.00 C ATOM 399 CE1 TYR A 29 6.667 0.209 6.024 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.345 0.734 6.267 1.00 0.00 C ATOM 401 CZ TYR A 29 5.564 0.412 6.826 1.00 0.00 C ATOM 402 OH TYR A 29 5.681 0.294 8.192 1.00 0.00 O ATOM 0 H TYR A 29 7.276 -0.710 1.916 1.00 0.00 H new ATOM 0 HA TYR A 29 4.373 -1.171 2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.029 1.384 2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.284 1.324 2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.412 0.172 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.277 1.104 4.460 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.620 -0.043 6.465 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.483 0.893 6.898 1.00 0.00 H new ATOM 0 HH TYR A 29 4.813 0.469 8.611 1.00 0.00 H new ATOM 412 N TYR A 30 3.747 -0.658 -0.116 1.00 0.00 N ATOM 413 CA TYR A 30 3.393 -0.494 -1.521 1.00 0.00 C ATOM 414 C TYR A 30 2.126 0.343 -1.670 1.00 0.00 C ATOM 415 O TYR A 30 1.347 0.482 -0.727 1.00 0.00 O ATOM 416 CB TYR A 30 3.195 -1.860 -2.181 1.00 0.00 C ATOM 417 CG TYR A 30 4.378 -2.787 -2.020 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.548 -2.585 -2.742 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.327 -3.866 -1.146 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.632 -3.430 -2.598 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.406 -4.716 -0.995 1.00 0.00 C ATOM 422 CZ TYR A 30 6.556 -4.493 -1.724 1.00 0.00 C ATOM 423 OH TYR A 30 7.632 -5.338 -1.577 1.00 0.00 O ATOM 0 H TYR A 30 2.999 -1.034 0.466 1.00 0.00 H new ATOM 0 HA TYR A 30 4.212 0.027 -2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.311 -2.335 -1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.999 -1.716 -3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.611 -1.753 -3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.428 -4.044 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.534 -3.258 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.349 -5.550 -0.311 1.00 0.00 H new ATOM 0 HH TYR A 30 7.414 -6.034 -0.922 1.00 0.00 H new ATOM 433 N GLU A 31 1.928 0.898 -2.861 1.00 0.00 N ATOM 434 CA GLU A 31 0.756 1.722 -3.134 1.00 0.00 C ATOM 435 C GLU A 31 -0.523 0.895 -3.046 1.00 0.00 C ATOM 436 O GLU A 31 -0.638 -0.159 -3.671 1.00 0.00 O ATOM 437 CB GLU A 31 0.868 2.364 -4.518 1.00 0.00 C ATOM 438 CG GLU A 31 -0.226 3.378 -4.809 1.00 0.00 C ATOM 439 CD GLU A 31 0.183 4.391 -5.861 1.00 0.00 C ATOM 440 OE1 GLU A 31 1.349 4.835 -5.837 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.666 4.740 -6.708 1.00 0.00 O ATOM 0 H GLU A 31 2.563 0.792 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 31 0.712 2.508 -2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.838 2.854 -4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.837 1.581 -5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.122 2.855 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.486 3.900 -3.888 1.00 0.00 H new ATOM 448 N VAL A 32 -1.482 1.381 -2.265 1.00 0.00 N ATOM 449 CA VAL A 32 -2.754 0.688 -2.095 1.00 0.00 C ATOM 450 C VAL A 32 -3.865 1.663 -1.721 1.00 0.00 C ATOM 451 O VAL A 32 -3.614 2.700 -1.109 1.00 0.00 O ATOM 452 CB VAL A 32 -2.658 -0.403 -1.012 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.597 -1.429 -1.381 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.362 0.217 0.345 1.00 0.00 C ATOM 0 H VAL A 32 -1.403 2.252 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.991 0.221 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.619 -0.914 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.543 -2.192 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.857 -1.896 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.630 -0.935 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.298 -0.569 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.415 0.755 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.161 0.909 0.611 1.00 0.00 H new ATOM 464 N GLU A 33 -5.095 1.320 -2.092 1.00 0.00 N ATOM 465 CA GLU A 33 -6.245 2.166 -1.796 1.00 0.00 C ATOM 466 C GLU A 33 -7.032 1.617 -0.609 1.00 0.00 C ATOM 467 O GLU A 33 -7.012 0.416 -0.340 1.00 0.00 O ATOM 468 CB GLU A 33 -7.156 2.274 -3.020 1.00 0.00 C ATOM 469 CG GLU A 33 -8.605 2.573 -2.676 1.00 0.00 C ATOM 470 CD GLU A 33 -9.394 3.083 -3.867 1.00 0.00 C ATOM 471 OE1 GLU A 33 -9.177 4.246 -4.267 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.229 2.321 -4.397 1.00 0.00 O ATOM 0 H GLU A 33 -5.320 0.463 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.877 3.159 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.778 3.058 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.110 1.340 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.077 1.669 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.640 3.314 -1.878 1.00 0.00 H new ATOM 479 N ILE A 34 -7.724 2.506 0.096 1.00 0.00 N ATOM 480 CA ILE A 34 -8.518 2.111 1.253 1.00 0.00 C ATOM 481 C ILE A 34 -9.943 1.752 0.844 1.00 0.00 C ATOM 482 O ILE A 34 -10.649 2.560 0.239 1.00 0.00 O ATOM 483 CB ILE A 34 -8.565 3.228 2.311 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.148 3.653 2.700 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.340 2.765 3.536 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.435 2.647 3.576 1.00 0.00 C ATOM 0 H ILE A 34 -7.751 3.504 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.034 1.234 1.684 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.078 4.090 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.564 3.812 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.194 4.609 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.364 3.566 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.359 2.507 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.853 1.890 3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.436 3.014 3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.997 2.505 4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.357 1.696 3.049 1.00 0.00 H new ATOM 498 N LEU A 35 -10.360 0.537 1.181 1.00 0.00 N ATOM 499 CA LEU A 35 -11.703 0.070 0.851 1.00 0.00 C ATOM 500 C LEU A 35 -12.654 0.275 2.026 1.00 0.00 C ATOM 501 O LEU A 35 -13.750 0.813 1.864 1.00 0.00 O ATOM 502 CB LEU A 35 -11.669 -1.408 0.460 1.00 0.00 C ATOM 503 CG LEU A 35 -10.571 -1.817 -0.522 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.625 -3.313 -0.791 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.699 -1.035 -1.822 1.00 0.00 C ATOM 0 H LEU A 35 -9.788 -0.143 1.682 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.067 0.654 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.556 -2.001 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.634 -1.671 0.026 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.605 -1.584 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.836 -3.585 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.483 -3.856 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.594 -3.571 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.909 -1.339 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.670 -1.237 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.609 0.031 -1.615 1.00 0.00 H new ATOM 517 N SER A 36 -12.227 -0.155 3.209 1.00 0.00 N ATOM 518 CA SER A 36 -13.041 -0.020 4.411 1.00 0.00 C ATOM 519 C SER A 36 -12.170 -0.044 5.663 1.00 0.00 C ATOM 520 O SER A 36 -10.946 -0.150 5.579 1.00 0.00 O ATOM 521 CB SER A 36 -14.080 -1.142 4.477 1.00 0.00 C ATOM 522 OG SER A 36 -15.136 -0.807 5.360 1.00 0.00 O ATOM 0 H SER A 36 -11.322 -0.600 3.361 1.00 0.00 H new ATOM 0 HA SER A 36 -13.555 0.940 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.480 -1.330 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.603 -2.064 4.808 1.00 0.00 H new ATOM 0 HG SER A 36 -15.787 -1.539 5.383 1.00 0.00 H new ATOM 528 N HIS A 37 -12.810 0.056 6.824 1.00 0.00 N ATOM 529 CA HIS A 37 -12.094 0.045 8.094 1.00 0.00 C ATOM 530 C HIS A 37 -13.022 -0.353 9.238 1.00 0.00 C ATOM 531 O HIS A 37 -14.208 -0.020 9.232 1.00 0.00 O ATOM 532 CB HIS A 37 -11.485 1.420 8.372 1.00 0.00 C ATOM 533 CG HIS A 37 -11.308 1.714 9.830 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.467 0.990 10.647 1.00 0.00 N ATOM 535 CD2 HIS A 37 -11.871 2.661 10.616 1.00 0.00 C ATOM 536 CE1 HIS A 37 -10.520 1.478 11.874 1.00 0.00 C ATOM 537 NE2 HIS A 37 -11.365 2.493 11.882 1.00 0.00 N ATOM 0 H HIS A 37 -13.822 0.145 6.911 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.294 -0.692 8.025 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.516 1.486 7.876 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.122 2.186 7.930 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -9.893 0.201 10.351 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.585 3.409 10.306 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -9.967 1.110 12.725 1.00 0.00 H new ATOM 546 N ASP A 38 -12.476 -1.067 10.216 1.00 0.00 N ATOM 547 CA ASP A 38 -13.255 -1.510 11.366 1.00 0.00 C ATOM 548 C ASP A 38 -12.702 -0.917 12.658 1.00 0.00 C ATOM 549 O ASP A 38 -11.497 -0.707 12.790 1.00 0.00 O ATOM 550 CB ASP A 38 -13.256 -3.037 11.450 1.00 0.00 C ATOM 551 CG ASP A 38 -14.499 -3.579 12.129 1.00 0.00 C ATOM 552 OD1 ASP A 38 -15.610 -3.133 11.774 1.00 0.00 O ATOM 553 OD2 ASP A 38 -14.361 -4.448 13.015 1.00 0.00 O ATOM 0 H ASP A 38 -11.497 -1.351 10.235 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.279 -1.160 11.237 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.184 -3.453 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.373 -3.368 11.997 1.00 0.00 H new ATOM 558 N SER A 39 -13.592 -0.649 13.608 1.00 0.00 N ATOM 559 CA SER A 39 -13.193 -0.075 14.889 1.00 0.00 C ATOM 560 C SER A 39 -13.124 -1.151 15.968 1.00 0.00 C ATOM 561 O SER A 39 -12.721 -0.887 17.101 1.00 0.00 O ATOM 562 CB SER A 39 -14.175 1.021 15.308 1.00 0.00 C ATOM 563 OG SER A 39 -15.508 0.541 15.303 1.00 0.00 O ATOM 0 H SER A 39 -14.593 -0.820 13.516 1.00 0.00 H new ATOM 0 HA SER A 39 -12.201 0.361 14.771 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.919 1.382 16.304 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.088 1.870 14.630 1.00 0.00 H new ATOM 0 HG SER A 39 -16.116 1.260 15.576 1.00 0.00 H new ATOM 569 N THR A 40 -13.519 -2.368 15.607 1.00 0.00 N ATOM 570 CA THR A 40 -13.503 -3.486 16.543 1.00 0.00 C ATOM 571 C THR A 40 -12.405 -4.483 16.191 1.00 0.00 C ATOM 572 O THR A 40 -11.867 -5.162 17.065 1.00 0.00 O ATOM 573 CB THR A 40 -14.858 -4.218 16.566 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.911 -3.292 16.856 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.854 -5.330 17.604 1.00 0.00 C ATOM 0 H THR A 40 -13.854 -2.605 14.673 1.00 0.00 H new ATOM 0 HA THR A 40 -13.307 -3.069 17.531 1.00 0.00 H new ATOM 0 HB THR A 40 -15.024 -4.660 15.583 1.00 0.00 H new ATOM 0 HG1 THR A 40 -16.769 -3.765 16.867 1.00 0.00 H new ATOM 0 HG21 THR A 40 -15.821 -5.833 17.602 1.00 0.00 H new ATOM 0 HG22 THR A 40 -14.071 -6.049 17.364 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.667 -4.906 18.591 1.00 0.00 H new ATOM 583 N SER A 41 -12.077 -4.565 14.906 1.00 0.00 N ATOM 584 CA SER A 41 -11.044 -5.482 14.437 1.00 0.00 C ATOM 585 C SER A 41 -9.751 -4.733 14.131 1.00 0.00 C ATOM 586 O SER A 41 -8.694 -5.341 13.966 1.00 0.00 O ATOM 587 CB SER A 41 -11.522 -6.228 13.190 1.00 0.00 C ATOM 588 OG SER A 41 -12.756 -6.882 13.429 1.00 0.00 O ATOM 0 H SER A 41 -12.511 -4.008 14.170 1.00 0.00 H new ATOM 0 HA SER A 41 -10.847 -6.204 15.230 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.633 -5.527 12.363 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.771 -6.959 12.890 1.00 0.00 H new ATOM 0 HG SER A 41 -13.489 -6.238 13.345 1.00 0.00 H new ATOM 594 N GLN A 42 -9.845 -3.409 14.057 1.00 0.00 N ATOM 595 CA GLN A 42 -8.683 -2.576 13.770 1.00 0.00 C ATOM 596 C GLN A 42 -7.946 -3.078 12.532 1.00 0.00 C ATOM 597 O GLN A 42 -6.716 -3.043 12.472 1.00 0.00 O ATOM 598 CB GLN A 42 -7.734 -2.556 14.970 1.00 0.00 C ATOM 599 CG GLN A 42 -8.395 -2.100 16.260 1.00 0.00 C ATOM 600 CD GLN A 42 -8.458 -0.590 16.381 1.00 0.00 C ATOM 601 OE1 GLN A 42 -7.529 0.115 15.988 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.559 -0.086 16.927 1.00 0.00 N ATOM 0 H GLN A 42 -10.713 -2.891 14.192 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.033 -1.562 13.576 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.324 -3.555 15.115 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.895 -1.896 14.748 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.405 -2.507 16.310 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.845 -2.506 17.109 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.304 -0.708 17.239 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.659 0.923 17.034 1.00 0.00 H new ATOM 611 N LEU A 43 -8.705 -3.545 11.547 1.00 0.00 N ATOM 612 CA LEU A 43 -8.124 -4.055 10.310 1.00 0.00 C ATOM 613 C LEU A 43 -8.611 -3.252 9.108 1.00 0.00 C ATOM 614 O LEU A 43 -9.805 -3.224 8.810 1.00 0.00 O ATOM 615 CB LEU A 43 -8.477 -5.532 10.128 1.00 0.00 C ATOM 616 CG LEU A 43 -7.706 -6.520 11.005 1.00 0.00 C ATOM 617 CD1 LEU A 43 -8.217 -7.936 10.789 1.00 0.00 C ATOM 618 CD2 LEU A 43 -6.215 -6.438 10.715 1.00 0.00 C ATOM 0 H LEU A 43 -9.724 -3.581 11.581 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.041 -3.953 10.377 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.542 -5.657 10.324 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.312 -5.798 9.084 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.868 -6.253 12.049 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.657 -8.625 11.421 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.275 -7.984 11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.086 -8.215 9.743 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.682 -7.148 11.348 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.034 -6.679 9.667 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.859 -5.429 10.922 1.00 0.00 H new ATOM 630 N TYR A 44 -7.679 -2.602 8.420 1.00 0.00 N ATOM 631 CA TYR A 44 -8.013 -1.799 7.250 1.00 0.00 C ATOM 632 C TYR A 44 -7.945 -2.636 5.977 1.00 0.00 C ATOM 633 O TYR A 44 -6.927 -3.264 5.685 1.00 0.00 O ATOM 634 CB TYR A 44 -7.066 -0.603 7.139 1.00 0.00 C ATOM 635 CG TYR A 44 -7.423 0.540 8.062 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.246 0.432 9.435 1.00 0.00 C ATOM 637 CD2 TYR A 44 -7.939 1.729 7.560 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.571 1.474 10.282 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.266 2.776 8.399 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.081 2.644 9.759 1.00 0.00 C ATOM 641 OH TYR A 44 -8.407 3.685 10.598 1.00 0.00 O ATOM 0 H TYR A 44 -6.686 -2.616 8.653 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.034 -1.436 7.370 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.051 -0.933 7.359 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.069 -0.243 6.110 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.847 -0.483 9.848 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.087 1.836 6.496 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.427 1.373 11.348 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.665 3.694 7.992 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.752 4.435 10.070 1.00 0.00 H new ATOM 651 N THR A 45 -9.039 -2.640 5.220 1.00 0.00 N ATOM 652 CA THR A 45 -9.105 -3.399 3.978 1.00 0.00 C ATOM 653 C THR A 45 -8.609 -2.570 2.799 1.00 0.00 C ATOM 654 O THR A 45 -9.308 -1.679 2.315 1.00 0.00 O ATOM 655 CB THR A 45 -10.541 -3.876 3.687 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.093 -4.505 4.849 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.562 -4.849 2.519 1.00 0.00 C ATOM 0 H THR A 45 -9.891 -2.126 5.446 1.00 0.00 H new ATOM 0 HA THR A 45 -8.459 -4.268 4.105 1.00 0.00 H new ATOM 0 HB THR A 45 -11.143 -3.006 3.425 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.006 -4.804 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.586 -5.172 2.333 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.169 -4.358 1.629 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.946 -5.716 2.757 1.00 0.00 H new ATOM 665 N VAL A 46 -7.397 -2.867 2.340 1.00 0.00 N ATOM 666 CA VAL A 46 -6.808 -2.150 1.216 1.00 0.00 C ATOM 667 C VAL A 46 -6.735 -3.035 -0.023 1.00 0.00 C ATOM 668 O VAL A 46 -6.662 -4.260 0.078 1.00 0.00 O ATOM 669 CB VAL A 46 -5.394 -1.642 1.554 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.434 -0.710 2.756 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.454 -2.811 1.807 1.00 0.00 C ATOM 0 H VAL A 46 -6.804 -3.600 2.730 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.454 -1.296 1.012 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.016 -1.079 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.426 -0.361 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.072 0.145 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.833 -1.245 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.459 -2.433 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.826 -3.403 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.402 -3.435 0.915 1.00 0.00 H new ATOM 681 N LYS A 47 -6.755 -2.406 -1.194 1.00 0.00 N ATOM 682 CA LYS A 47 -6.690 -3.135 -2.455 1.00 0.00 C ATOM 683 C LYS A 47 -5.431 -2.765 -3.232 1.00 0.00 C ATOM 684 O LYS A 47 -5.023 -1.604 -3.256 1.00 0.00 O ATOM 685 CB LYS A 47 -7.930 -2.842 -3.302 1.00 0.00 C ATOM 686 CG LYS A 47 -8.132 -3.823 -4.444 1.00 0.00 C ATOM 687 CD LYS A 47 -8.978 -3.220 -5.553 1.00 0.00 C ATOM 688 CE LYS A 47 -9.717 -4.294 -6.337 1.00 0.00 C ATOM 689 NZ LYS A 47 -10.644 -3.707 -7.344 1.00 0.00 N ATOM 0 H LYS A 47 -6.816 -1.393 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.656 -4.201 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.811 -2.859 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.852 -1.834 -3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.163 -4.121 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.613 -4.726 -4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.697 -2.521 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.341 -2.649 -6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.995 -4.938 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.280 -4.923 -5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.128 -4.471 -7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.349 -3.113 -6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.103 -3.127 -8.017 1.00 0.00 H new ATOM 703 N TYR A 48 -4.820 -3.759 -3.868 1.00 0.00 N ATOM 704 CA TYR A 48 -3.607 -3.537 -4.646 1.00 0.00 C ATOM 705 C TYR A 48 -3.922 -3.457 -6.137 1.00 0.00 C ATOM 706 O TYR A 48 -4.919 -4.009 -6.604 1.00 0.00 O ATOM 707 CB TYR A 48 -2.598 -4.657 -4.387 1.00 0.00 C ATOM 708 CG TYR A 48 -1.987 -4.614 -3.004 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.670 -5.123 -1.906 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.729 -4.063 -2.796 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.116 -5.085 -0.641 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.167 -4.022 -1.535 1.00 0.00 C ATOM 713 CZ TYR A 48 -0.865 -4.534 -0.460 1.00 0.00 C ATOM 714 OH TYR A 48 -0.309 -4.494 0.798 1.00 0.00 O ATOM 0 H TYR A 48 -5.145 -4.726 -3.860 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.175 -2.587 -4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.091 -5.619 -4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.802 -4.596 -5.129 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.650 -5.555 -2.044 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.181 -3.660 -3.635 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.660 -5.485 0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.813 -3.592 -1.391 1.00 0.00 H new ATOM 0 HH TYR A 48 0.576 -4.075 0.751 1.00 0.00 H new ATOM 724 N LYS A 49 -3.065 -2.765 -6.880 1.00 0.00 N ATOM 725 CA LYS A 49 -3.249 -2.612 -8.318 1.00 0.00 C ATOM 726 C LYS A 49 -3.558 -3.955 -8.973 1.00 0.00 C ATOM 727 O LYS A 49 -4.512 -4.076 -9.741 1.00 0.00 O ATOM 728 CB LYS A 49 -1.997 -2.000 -8.950 1.00 0.00 C ATOM 729 CG LYS A 49 -2.060 -1.915 -10.466 1.00 0.00 C ATOM 730 CD LYS A 49 -2.722 -0.626 -10.924 1.00 0.00 C ATOM 731 CE LYS A 49 -2.289 -0.248 -12.332 1.00 0.00 C ATOM 732 NZ LYS A 49 -0.900 0.288 -12.360 1.00 0.00 N ATOM 0 H LYS A 49 -2.236 -2.301 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.095 -1.945 -8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.847 -0.999 -8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.129 -2.593 -8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.052 -1.974 -10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.614 -2.769 -10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.805 -0.741 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.468 0.180 -10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.354 -1.123 -12.979 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.974 0.498 -12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.719 0.735 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.785 0.993 -11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.225 -0.489 -12.214 1.00 0.00 H new ATOM 746 N ASP A 50 -2.746 -4.959 -8.663 1.00 0.00 N ATOM 747 CA ASP A 50 -2.934 -6.294 -9.220 1.00 0.00 C ATOM 748 C ASP A 50 -4.380 -6.753 -9.053 1.00 0.00 C ATOM 749 O ASP A 50 -4.899 -7.511 -9.871 1.00 0.00 O ATOM 750 CB ASP A 50 -1.989 -7.289 -8.545 1.00 0.00 C ATOM 751 CG ASP A 50 -2.521 -8.709 -8.581 1.00 0.00 C ATOM 752 OD1 ASP A 50 -3.050 -9.118 -9.636 1.00 0.00 O ATOM 753 OD2 ASP A 50 -2.408 -9.411 -7.555 1.00 0.00 O ATOM 0 H ASP A 50 -1.951 -4.874 -8.029 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.705 -6.253 -10.285 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.018 -7.255 -9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.831 -6.990 -7.509 1.00 0.00 H new ATOM 758 N GLY A 51 -5.024 -6.288 -7.987 1.00 0.00 N ATOM 759 CA GLY A 51 -6.403 -6.663 -7.732 1.00 0.00 C ATOM 760 C GLY A 51 -6.540 -7.594 -6.544 1.00 0.00 C ATOM 761 O GLY A 51 -7.357 -8.516 -6.559 1.00 0.00 O ATOM 0 H GLY A 51 -4.616 -5.659 -7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.994 -5.764 -7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.815 -7.146 -8.618 1.00 0.00 H new ATOM 765 N THR A 52 -5.738 -7.356 -5.511 1.00 0.00 N ATOM 766 CA THR A 52 -5.772 -8.182 -4.311 1.00 0.00 C ATOM 767 C THR A 52 -6.043 -7.339 -3.070 1.00 0.00 C ATOM 768 O THR A 52 -5.535 -6.225 -2.944 1.00 0.00 O ATOM 769 CB THR A 52 -4.449 -8.947 -4.119 1.00 0.00 C ATOM 770 OG1 THR A 52 -4.206 -9.797 -5.246 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.487 -9.782 -2.847 1.00 0.00 C ATOM 0 H THR A 52 -5.057 -6.597 -5.482 1.00 0.00 H new ATOM 0 HA THR A 52 -6.582 -8.899 -4.443 1.00 0.00 H new ATOM 0 HB THR A 52 -3.643 -8.219 -4.033 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.538 -9.382 -5.830 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.542 -10.313 -2.732 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.643 -9.129 -1.988 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.303 -10.502 -2.909 1.00 0.00 H new ATOM 779 N GLU A 53 -6.845 -7.878 -2.157 1.00 0.00 N ATOM 780 CA GLU A 53 -7.182 -7.173 -0.926 1.00 0.00 C ATOM 781 C GLU A 53 -6.570 -7.870 0.285 1.00 0.00 C ATOM 782 O GLU A 53 -6.231 -9.053 0.230 1.00 0.00 O ATOM 783 CB GLU A 53 -8.701 -7.084 -0.763 1.00 0.00 C ATOM 784 CG GLU A 53 -9.390 -6.325 -1.885 1.00 0.00 C ATOM 785 CD GLU A 53 -9.812 -7.228 -3.027 1.00 0.00 C ATOM 786 OE1 GLU A 53 -10.863 -7.892 -2.903 1.00 0.00 O ATOM 787 OE2 GLU A 53 -9.091 -7.271 -4.046 1.00 0.00 O ATOM 0 H GLU A 53 -7.273 -8.800 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.771 -6.166 -0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.112 -8.092 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.928 -6.598 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.267 -5.814 -1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.718 -5.556 -2.265 1.00 0.00 H new ATOM 794 N LEU A 54 -6.430 -7.129 1.378 1.00 0.00 N ATOM 795 CA LEU A 54 -5.857 -7.674 2.605 1.00 0.00 C ATOM 796 C LEU A 54 -6.321 -6.881 3.822 1.00 0.00 C ATOM 797 O LEU A 54 -7.041 -5.891 3.692 1.00 0.00 O ATOM 798 CB LEU A 54 -4.330 -7.664 2.526 1.00 0.00 C ATOM 799 CG LEU A 54 -3.713 -8.409 1.341 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.208 -8.196 1.301 1.00 0.00 C ATOM 801 CD2 LEU A 54 -4.042 -9.893 1.414 1.00 0.00 C ATOM 0 H LEU A 54 -6.705 -6.149 1.441 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.202 -8.702 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.995 -6.627 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.936 -8.096 3.446 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.140 -8.007 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.787 -8.734 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.994 -7.132 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.763 -8.569 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.595 -10.407 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.644 -10.309 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.123 -10.027 1.392 1.00 0.00 H new ATOM 813 N GLU A 55 -5.900 -7.320 5.004 1.00 0.00 N ATOM 814 CA GLU A 55 -6.272 -6.649 6.244 1.00 0.00 C ATOM 815 C GLU A 55 -5.033 -6.174 6.998 1.00 0.00 C ATOM 816 O GLU A 55 -4.321 -6.972 7.610 1.00 0.00 O ATOM 817 CB GLU A 55 -7.094 -7.587 7.131 1.00 0.00 C ATOM 818 CG GLU A 55 -8.587 -7.532 6.855 1.00 0.00 C ATOM 819 CD GLU A 55 -9.349 -8.646 7.546 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.304 -9.792 7.052 1.00 0.00 O ATOM 821 OE2 GLU A 55 -9.990 -8.372 8.582 1.00 0.00 O ATOM 0 H GLU A 55 -5.302 -8.137 5.129 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.877 -5.779 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.744 -8.609 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.917 -7.333 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.979 -6.570 7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.757 -7.593 5.780 1.00 0.00 H new ATOM 828 N LEU A 56 -4.781 -4.871 6.948 1.00 0.00 N ATOM 829 CA LEU A 56 -3.628 -4.288 7.625 1.00 0.00 C ATOM 830 C LEU A 56 -4.070 -3.341 8.736 1.00 0.00 C ATOM 831 O LEU A 56 -4.900 -2.458 8.520 1.00 0.00 O ATOM 832 CB LEU A 56 -2.747 -3.541 6.623 1.00 0.00 C ATOM 833 CG LEU A 56 -2.464 -4.265 5.306 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.770 -3.336 4.323 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.623 -5.509 5.552 1.00 0.00 C ATOM 0 H LEU A 56 -5.360 -4.198 6.446 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.052 -5.099 8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.221 -2.586 6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.794 -3.318 7.103 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.415 -4.573 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.577 -3.870 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.409 -2.476 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.826 -2.996 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.431 -6.012 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.676 -5.223 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.159 -6.184 6.219 1.00 0.00 H new ATOM 847 N LYS A 57 -3.508 -3.530 9.925 1.00 0.00 N ATOM 848 CA LYS A 57 -3.841 -2.691 11.071 1.00 0.00 C ATOM 849 C LYS A 57 -3.526 -1.227 10.782 1.00 0.00 C ATOM 850 O LYS A 57 -2.675 -0.918 9.949 1.00 0.00 O ATOM 851 CB LYS A 57 -3.071 -3.155 12.309 1.00 0.00 C ATOM 852 CG LYS A 57 -3.282 -4.621 12.643 1.00 0.00 C ATOM 853 CD LYS A 57 -2.924 -4.921 14.089 1.00 0.00 C ATOM 854 CE LYS A 57 -3.540 -6.231 14.556 1.00 0.00 C ATOM 855 NZ LYS A 57 -4.914 -6.037 15.096 1.00 0.00 N ATOM 0 H LYS A 57 -2.820 -4.257 10.121 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.910 -2.784 11.260 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.007 -2.976 12.153 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.374 -2.549 13.163 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.323 -4.890 12.462 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.673 -5.237 11.981 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.840 -4.970 14.194 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.270 -4.107 14.727 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.573 -6.934 13.723 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.908 -6.676 15.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.299 -6.953 15.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.880 -5.386 15.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.525 -5.636 14.356 1.00 0.00 H new ATOM 869 N GLU A 58 -4.218 -0.329 11.478 1.00 0.00 N ATOM 870 CA GLU A 58 -4.011 1.102 11.295 1.00 0.00 C ATOM 871 C GLU A 58 -2.524 1.445 11.323 1.00 0.00 C ATOM 872 O GLU A 58 -2.077 2.371 10.648 1.00 0.00 O ATOM 873 CB GLU A 58 -4.746 1.889 12.382 1.00 0.00 C ATOM 874 CG GLU A 58 -4.785 3.387 12.129 1.00 0.00 C ATOM 875 CD GLU A 58 -5.177 4.177 13.362 1.00 0.00 C ATOM 876 OE1 GLU A 58 -6.331 4.030 13.818 1.00 0.00 O ATOM 877 OE2 GLU A 58 -4.333 4.943 13.870 1.00 0.00 O ATOM 0 H GLU A 58 -4.926 -0.568 12.173 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.412 1.379 10.320 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.767 1.516 12.461 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.264 1.704 13.342 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.805 3.719 11.786 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.492 3.598 11.327 1.00 0.00 H new ATOM 884 N ASN A 59 -1.763 0.690 12.109 1.00 0.00 N ATOM 885 CA ASN A 59 -0.326 0.913 12.225 1.00 0.00 C ATOM 886 C ASN A 59 0.407 0.390 10.994 1.00 0.00 C ATOM 887 O ASN A 59 1.277 1.066 10.444 1.00 0.00 O ATOM 888 CB ASN A 59 0.216 0.232 13.484 1.00 0.00 C ATOM 889 CG ASN A 59 1.604 0.720 13.852 1.00 0.00 C ATOM 890 OD1 ASN A 59 1.896 1.914 13.773 1.00 0.00 O ATOM 891 ND2 ASN A 59 2.467 -0.204 14.259 1.00 0.00 N ATOM 0 H ASN A 59 -2.117 -0.081 12.675 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.154 1.987 12.298 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.464 0.417 14.316 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.242 -0.846 13.328 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.415 0.064 14.522 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.181 -1.182 14.309 1.00 0.00 H new ATOM 898 N ASP A 60 0.050 -0.816 10.567 1.00 0.00 N ATOM 899 CA ASP A 60 0.673 -1.429 9.400 1.00 0.00 C ATOM 900 C ASP A 60 0.601 -0.498 8.194 1.00 0.00 C ATOM 901 O ASP A 60 1.434 -0.572 7.290 1.00 0.00 O ATOM 902 CB ASP A 60 -0.006 -2.760 9.074 1.00 0.00 C ATOM 903 CG ASP A 60 0.240 -3.812 10.138 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.276 -3.449 11.333 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.397 -4.997 9.777 1.00 0.00 O ATOM 0 H ASP A 60 -0.668 -1.389 11.012 1.00 0.00 H new ATOM 0 HA ASP A 60 1.722 -1.612 9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.079 -2.600 8.966 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.360 -3.126 8.114 1.00 0.00 H new ATOM 910 N ILE A 61 -0.401 0.375 8.185 1.00 0.00 N ATOM 911 CA ILE A 61 -0.581 1.319 7.090 1.00 0.00 C ATOM 912 C ILE A 61 0.062 2.664 7.412 1.00 0.00 C ATOM 913 O ILE A 61 0.017 3.129 8.551 1.00 0.00 O ATOM 914 CB ILE A 61 -2.073 1.538 6.775 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.767 0.197 6.530 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.231 2.452 5.569 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.260 0.319 6.320 1.00 0.00 C ATOM 0 H ILE A 61 -1.100 0.448 8.924 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.093 0.886 6.217 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.544 2.017 7.633 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.323 -0.278 5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.580 -0.460 7.379 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.291 2.597 5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.767 3.416 5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.748 1.999 4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.686 -0.670 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.716 0.765 7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.455 0.950 5.453 1.00 0.00 H new ATOM 929 N LYS A 62 0.659 3.285 6.401 1.00 0.00 N ATOM 930 CA LYS A 62 1.309 4.579 6.574 1.00 0.00 C ATOM 931 C LYS A 62 1.365 5.341 5.254 1.00 0.00 C ATOM 932 O LYS A 62 1.617 4.757 4.200 1.00 0.00 O ATOM 933 CB LYS A 62 2.723 4.392 7.128 1.00 0.00 C ATOM 934 CG LYS A 62 3.678 3.733 6.148 1.00 0.00 C ATOM 935 CD LYS A 62 4.397 4.762 5.292 1.00 0.00 C ATOM 936 CE LYS A 62 5.541 5.417 6.051 1.00 0.00 C ATOM 937 NZ LYS A 62 6.511 6.076 5.133 1.00 0.00 N ATOM 0 H LYS A 62 0.706 2.913 5.452 1.00 0.00 H new ATOM 0 HA LYS A 62 0.721 5.161 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.123 5.364 7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.672 3.789 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.410 3.139 6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.126 3.047 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.783 4.283 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.690 5.525 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.140 6.155 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.058 4.665 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.275 6.510 5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.913 5.368 4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.023 6.811 4.582 1.00 0.00 H new ATOM 951 N SER A 63 1.131 6.648 5.319 1.00 0.00 N ATOM 952 CA SER A 63 1.153 7.488 4.128 1.00 0.00 C ATOM 953 C SER A 63 2.300 8.492 4.192 1.00 0.00 C ATOM 954 O SER A 63 2.741 8.880 5.273 1.00 0.00 O ATOM 955 CB SER A 63 -0.178 8.228 3.975 1.00 0.00 C ATOM 956 OG SER A 63 -0.166 9.069 2.835 1.00 0.00 O ATOM 0 H SER A 63 0.924 7.148 6.184 1.00 0.00 H new ATOM 0 HA SER A 63 1.305 6.843 3.262 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.991 7.507 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.372 8.823 4.868 1.00 0.00 H new ATOM 0 HG SER A 63 -1.028 9.529 2.759 1.00 0.00 H new