USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 583 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 28 ASN : amide:sc= -0.407 X(o=-0.93,f=-1.1) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -112:sc= -0.522 (180deg=-2.66!) USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.032) USER MOD Single : A 36 GLN : amide:sc= -0.969 K(o=-0.97,f=-5.1!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -110:sc= 1.36 USER MOD Single : A 42 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.7!) USER MOD Single : A 47 GLN : amide:sc= -1.62 K(o=-1.6,f=-5.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 69 TYR OH : rot 30:sc= 1.01 USER MOD Single : A 72 CYS SG : rot 37:sc= -0.633 USER MOD Single : A 76 GLN : amide:sc= -2.15 K(o=-2.2,f=-3.4!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0424 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 117:sc= -0.0223 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N VAL A 11 -1.251 -8.009 -7.987 1.00 0.00 N ATOM 104 CA VAL A 11 -0.768 -8.940 -6.975 1.00 0.00 C ATOM 105 C VAL A 11 0.192 -8.253 -6.009 1.00 0.00 C ATOM 106 O VAL A 11 1.067 -7.494 -6.424 1.00 0.00 O ATOM 107 CB VAL A 11 -0.057 -10.147 -7.615 1.00 0.00 C ATOM 108 CG1 VAL A 11 -1.062 -11.052 -8.311 1.00 0.00 C ATOM 109 CG2 VAL A 11 1.014 -9.679 -8.589 1.00 0.00 C ATOM 0 HA VAL A 11 -1.642 -9.291 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 11 0.427 -10.721 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.541 -11.899 -8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.789 -11.415 -7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.577 -10.491 -9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.506 -10.545 -9.032 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.554 -9.081 -9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.750 -9.075 -8.058 1.00 0.00 H new ATOM 119 N GLY A 12 0.020 -8.524 -4.719 1.00 0.00 N ATOM 120 CA GLY A 12 0.878 -7.924 -3.715 1.00 0.00 C ATOM 121 C GLY A 12 2.242 -8.581 -3.647 1.00 0.00 C ATOM 122 O GLY A 12 2.507 -9.551 -4.357 1.00 0.00 O ATOM 0 H GLY A 12 -0.698 -9.148 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.000 -6.863 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.395 -7.995 -2.740 1.00 0.00 H new ATOM 126 N ASP A 13 3.110 -8.050 -2.792 1.00 0.00 N ATOM 127 CA ASP A 13 4.456 -8.591 -2.633 1.00 0.00 C ATOM 128 C ASP A 13 4.472 -9.717 -1.604 1.00 0.00 C ATOM 129 O ASP A 13 3.559 -9.839 -0.788 1.00 0.00 O ATOM 130 CB ASP A 13 5.425 -7.485 -2.213 1.00 0.00 C ATOM 131 CG ASP A 13 6.048 -6.779 -3.401 1.00 0.00 C ATOM 132 OD1 ASP A 13 6.501 -7.475 -4.334 1.00 0.00 O ATOM 133 OD2 ASP A 13 6.082 -5.531 -3.400 1.00 0.00 O ATOM 0 H ASP A 13 2.906 -7.246 -2.199 1.00 0.00 H new ATOM 0 HA ASP A 13 4.774 -8.998 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.896 -6.757 -1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.214 -7.913 -1.594 1.00 0.00 H new ATOM 138 N ASP A 14 5.519 -10.536 -1.648 1.00 0.00 N ATOM 139 CA ASP A 14 5.655 -11.652 -0.719 1.00 0.00 C ATOM 140 C ASP A 14 6.569 -11.282 0.444 1.00 0.00 C ATOM 141 O ASP A 14 7.348 -12.107 0.922 1.00 0.00 O ATOM 142 CB ASP A 14 6.205 -12.882 -1.445 1.00 0.00 C ATOM 143 CG ASP A 14 5.781 -14.179 -0.785 1.00 0.00 C ATOM 144 OD1 ASP A 14 4.581 -14.321 -0.469 1.00 0.00 O ATOM 145 OD2 ASP A 14 6.650 -15.054 -0.582 1.00 0.00 O ATOM 0 H ASP A 14 6.284 -10.448 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 14 4.667 -11.885 -0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.861 -12.874 -2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.293 -12.829 -1.471 1.00 0.00 H new ATOM 150 N PHE A 15 6.467 -10.036 0.898 1.00 0.00 N ATOM 151 CA PHE A 15 7.283 -9.557 2.006 1.00 0.00 C ATOM 152 C PHE A 15 6.738 -8.243 2.554 1.00 0.00 C ATOM 153 O PHE A 15 6.290 -7.381 1.797 1.00 0.00 O ATOM 154 CB PHE A 15 8.734 -9.372 1.557 1.00 0.00 C ATOM 155 CG PHE A 15 9.721 -9.393 2.690 1.00 0.00 C ATOM 156 CD1 PHE A 15 9.942 -8.258 3.454 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.424 -10.548 2.991 1.00 0.00 C ATOM 158 CE1 PHE A 15 10.848 -8.275 4.497 1.00 0.00 C ATOM 159 CE2 PHE A 15 11.333 -10.569 4.034 1.00 0.00 C ATOM 160 CZ PHE A 15 11.545 -9.432 4.787 1.00 0.00 C ATOM 0 H PHE A 15 5.827 -9.341 0.515 1.00 0.00 H new ATOM 0 HA PHE A 15 7.248 -10.304 2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.990 -10.160 0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.823 -8.424 1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.400 -7.351 3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.261 -11.441 2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.011 -7.384 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.876 -11.475 4.259 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.254 -9.447 5.601 1.00 0.00 H new ATOM 170 N LEU A 16 6.777 -8.096 3.875 1.00 0.00 N ATOM 171 CA LEU A 16 6.287 -6.887 4.524 1.00 0.00 C ATOM 172 C LEU A 16 7.428 -5.910 4.793 1.00 0.00 C ATOM 173 O LEU A 16 8.562 -6.319 5.042 1.00 0.00 O ATOM 174 CB LEU A 16 5.581 -7.238 5.835 1.00 0.00 C ATOM 175 CG LEU A 16 4.149 -7.753 5.682 1.00 0.00 C ATOM 176 CD1 LEU A 16 3.795 -8.694 6.823 1.00 0.00 C ATOM 177 CD2 LEU A 16 3.170 -6.591 5.623 1.00 0.00 C ATOM 0 H LEU A 16 7.143 -8.800 4.516 1.00 0.00 H new ATOM 0 HA LEU A 16 5.575 -6.408 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.169 -7.994 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.566 -6.352 6.470 1.00 0.00 H new ATOM 0 HG LEU A 16 4.080 -8.309 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.773 -9.050 6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.478 -9.543 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.880 -8.164 7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.156 -6.975 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.241 -6.009 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.411 -5.955 4.771 1.00 0.00 H new ATOM 189 N GLY A 17 7.120 -4.618 4.739 1.00 0.00 N ATOM 190 CA GLY A 17 8.130 -3.605 4.977 1.00 0.00 C ATOM 191 C GLY A 17 8.200 -3.186 6.433 1.00 0.00 C ATOM 192 O GLY A 17 7.530 -3.769 7.286 1.00 0.00 O ATOM 0 H GLY A 17 6.189 -4.255 4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.102 -3.986 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.916 -2.732 4.361 1.00 0.00 H new ATOM 196 N ASP A 18 9.012 -2.174 6.717 1.00 0.00 N ATOM 197 CA ASP A 18 9.168 -1.678 8.080 1.00 0.00 C ATOM 198 C ASP A 18 8.306 -0.438 8.308 1.00 0.00 C ATOM 199 O ASP A 18 8.657 0.436 9.101 1.00 0.00 O ATOM 200 CB ASP A 18 10.638 -1.358 8.363 1.00 0.00 C ATOM 201 CG ASP A 18 11.257 -2.320 9.358 1.00 0.00 C ATOM 202 OD1 ASP A 18 10.524 -2.815 10.241 1.00 0.00 O ATOM 203 OD2 ASP A 18 12.475 -2.577 9.255 1.00 0.00 O ATOM 0 H ASP A 18 9.572 -1.681 6.022 1.00 0.00 H new ATOM 0 HA ASP A 18 8.837 -2.457 8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.201 -1.392 7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.718 -0.341 8.747 1.00 0.00 H new ATOM 208 N PHE A 19 7.179 -0.369 7.609 1.00 0.00 N ATOM 209 CA PHE A 19 6.269 0.763 7.736 1.00 0.00 C ATOM 210 C PHE A 19 5.187 0.478 8.772 1.00 0.00 C ATOM 211 O PHE A 19 4.839 -0.677 9.020 1.00 0.00 O ATOM 212 CB PHE A 19 5.625 1.081 6.384 1.00 0.00 C ATOM 213 CG PHE A 19 6.620 1.417 5.310 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.239 2.656 5.283 1.00 0.00 C ATOM 215 CD2 PHE A 19 6.936 0.492 4.328 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.155 2.967 4.296 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.851 0.797 3.338 1.00 0.00 C ATOM 218 CZ PHE A 19 8.461 2.036 3.322 1.00 0.00 C ATOM 0 H PHE A 19 6.874 -1.084 6.948 1.00 0.00 H new ATOM 0 HA PHE A 19 6.847 1.626 8.068 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.031 0.225 6.063 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.938 1.918 6.506 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.003 3.387 6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.462 -0.478 4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.631 3.936 4.286 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.089 0.067 2.578 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.176 2.277 2.549 1.00 0.00 H new ATOM 228 N VAL A 20 4.659 1.538 9.376 1.00 0.00 N ATOM 229 CA VAL A 20 3.617 1.402 10.387 1.00 0.00 C ATOM 230 C VAL A 20 2.429 2.307 10.077 1.00 0.00 C ATOM 231 O VAL A 20 2.433 3.032 9.081 1.00 0.00 O ATOM 232 CB VAL A 20 4.149 1.737 11.792 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.195 0.722 12.224 1.00 0.00 C ATOM 234 CG2 VAL A 20 4.718 3.148 11.826 1.00 0.00 C ATOM 0 H VAL A 20 4.936 2.500 9.183 1.00 0.00 H new ATOM 0 HA VAL A 20 3.293 0.361 10.368 1.00 0.00 H new ATOM 0 HB VAL A 20 3.318 1.688 12.495 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.559 0.976 13.220 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.750 -0.273 12.243 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.027 0.734 11.520 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.089 3.367 12.827 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.536 3.228 11.110 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.937 3.862 11.565 1.00 0.00 H new ATOM 244 N VAL A 21 1.416 2.260 10.935 1.00 0.00 N ATOM 245 CA VAL A 21 0.221 3.076 10.752 1.00 0.00 C ATOM 246 C VAL A 21 0.385 4.443 11.406 1.00 0.00 C ATOM 247 O VAL A 21 0.860 4.549 12.537 1.00 0.00 O ATOM 248 CB VAL A 21 -1.025 2.386 11.335 1.00 0.00 C ATOM 249 CG1 VAL A 21 -2.285 3.152 10.961 1.00 0.00 C ATOM 250 CG2 VAL A 21 -1.109 0.944 10.859 1.00 0.00 C ATOM 0 H VAL A 21 1.398 1.666 11.764 1.00 0.00 H new ATOM 0 HA VAL A 21 0.086 3.204 9.678 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.939 2.382 12.422 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.155 2.649 11.382 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.225 4.166 11.357 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.378 3.191 9.876 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.996 0.472 11.282 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.170 0.923 9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.221 0.402 11.183 1.00 0.00 H new ATOM 260 N GLY A 22 -0.012 5.489 10.688 1.00 0.00 N ATOM 261 CA GLY A 22 0.100 6.836 11.215 1.00 0.00 C ATOM 262 C GLY A 22 1.365 7.535 10.762 1.00 0.00 C ATOM 263 O GLY A 22 1.886 8.407 11.458 1.00 0.00 O ATOM 0 H GLY A 22 -0.409 5.427 9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.766 7.419 10.900 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.080 6.799 12.304 1.00 0.00 H new ATOM 267 N GLU A 23 1.863 7.153 9.589 1.00 0.00 N ATOM 268 CA GLU A 23 3.075 7.749 9.042 1.00 0.00 C ATOM 269 C GLU A 23 2.926 8.011 7.547 1.00 0.00 C ATOM 270 O GLU A 23 1.975 7.548 6.917 1.00 0.00 O ATOM 271 CB GLU A 23 4.277 6.837 9.295 1.00 0.00 C ATOM 272 CG GLU A 23 4.068 5.409 8.814 1.00 0.00 C ATOM 273 CD GLU A 23 5.338 4.787 8.269 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.425 5.087 8.808 1.00 0.00 O ATOM 275 OE2 GLU A 23 5.247 4.001 7.303 1.00 0.00 O ATOM 0 H GLU A 23 1.445 6.433 9.000 1.00 0.00 H new ATOM 0 HA GLU A 23 3.239 8.702 9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.152 7.255 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.495 6.824 10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.696 4.802 9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.301 5.399 8.039 1.00 0.00 H new ATOM 282 N ARG A 24 3.873 8.756 6.984 1.00 0.00 N ATOM 283 CA ARG A 24 3.847 9.079 5.563 1.00 0.00 C ATOM 284 C ARG A 24 4.793 8.174 4.782 1.00 0.00 C ATOM 285 O ARG A 24 5.903 7.884 5.230 1.00 0.00 O ATOM 286 CB ARG A 24 4.227 10.545 5.346 1.00 0.00 C ATOM 287 CG ARG A 24 3.028 11.468 5.196 1.00 0.00 C ATOM 288 CD ARG A 24 2.493 11.909 6.549 1.00 0.00 C ATOM 289 NE ARG A 24 1.476 12.951 6.421 1.00 0.00 N ATOM 290 CZ ARG A 24 1.100 13.746 7.420 1.00 0.00 C ATOM 291 NH1 ARG A 24 1.654 13.623 8.621 1.00 0.00 N ATOM 292 NH2 ARG A 24 0.168 14.668 7.219 1.00 0.00 N ATOM 0 H ARG A 24 4.667 9.147 7.491 1.00 0.00 H new ATOM 0 HA ARG A 24 2.834 8.916 5.196 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.833 10.883 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.849 10.622 4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.312 12.344 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.241 10.957 4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.069 11.050 7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.316 12.278 7.162 1.00 0.00 H new ATOM 0 HE ARG A 24 1.028 13.076 5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.372 12.916 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.362 14.235 9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.261 14.768 6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.120 15.277 7.985 1.00 0.00 H new ATOM 306 N VAL A 25 4.348 7.729 3.611 1.00 0.00 N ATOM 307 CA VAL A 25 5.155 6.857 2.767 1.00 0.00 C ATOM 308 C VAL A 25 4.897 7.131 1.289 1.00 0.00 C ATOM 309 O VAL A 25 3.750 7.248 0.860 1.00 0.00 O ATOM 310 CB VAL A 25 4.870 5.371 3.058 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.313 5.008 4.468 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.394 5.062 2.858 1.00 0.00 C ATOM 0 H VAL A 25 3.432 7.959 3.225 1.00 0.00 H new ATOM 0 HA VAL A 25 6.198 7.071 2.998 1.00 0.00 H new ATOM 0 HB VAL A 25 5.443 4.765 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.104 3.955 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.383 5.189 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.770 5.620 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.211 4.008 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.799 5.675 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.113 5.281 1.828 1.00 0.00 H new ATOM 322 N TRP A 26 5.973 7.231 0.515 1.00 0.00 N ATOM 323 CA TRP A 26 5.864 7.493 -0.916 1.00 0.00 C ATOM 324 C TRP A 26 5.558 6.210 -1.682 1.00 0.00 C ATOM 325 O TRP A 26 6.338 5.258 -1.654 1.00 0.00 O ATOM 326 CB TRP A 26 7.157 8.118 -1.442 1.00 0.00 C ATOM 327 CG TRP A 26 7.187 9.611 -1.322 1.00 0.00 C ATOM 328 CD1 TRP A 26 6.991 10.517 -2.325 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.429 10.372 -0.133 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.095 11.796 -1.831 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.364 11.733 -0.489 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.694 10.034 1.197 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.554 12.754 0.439 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.882 11.050 2.117 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.811 12.395 1.734 1.00 0.00 C ATOM 0 H TRP A 26 6.930 7.135 0.854 1.00 0.00 H new ATOM 0 HA TRP A 26 5.042 8.192 -1.070 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.003 7.700 -0.896 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.286 7.842 -2.489 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.785 10.266 -3.355 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.989 12.652 -2.375 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.751 8.999 1.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.500 13.792 0.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.087 10.802 3.148 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.962 13.165 2.476 1.00 0.00 H new ATOM 346 N VAL A 27 4.420 6.191 -2.366 1.00 0.00 N ATOM 347 CA VAL A 27 4.012 5.025 -3.140 1.00 0.00 C ATOM 348 C VAL A 27 4.716 4.992 -4.492 1.00 0.00 C ATOM 349 O VAL A 27 4.393 5.767 -5.392 1.00 0.00 O ATOM 350 CB VAL A 27 2.489 5.006 -3.368 1.00 0.00 C ATOM 351 CG1 VAL A 27 2.060 3.691 -4.002 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.750 5.240 -2.060 1.00 0.00 C ATOM 0 H VAL A 27 3.763 6.971 -2.400 1.00 0.00 H new ATOM 0 HA VAL A 27 4.296 4.146 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 27 2.233 5.814 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.981 3.696 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.562 3.569 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.329 2.865 -3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.675 5.223 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.011 4.456 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.034 6.209 -1.650 1.00 0.00 H new ATOM 362 N ASN A 28 5.681 4.088 -4.628 1.00 0.00 N ATOM 363 CA ASN A 28 6.432 3.953 -5.870 1.00 0.00 C ATOM 364 C ASN A 28 7.164 5.250 -6.207 1.00 0.00 C ATOM 365 O ASN A 28 7.364 5.575 -7.377 1.00 0.00 O ATOM 366 CB ASN A 28 5.497 3.568 -7.018 1.00 0.00 C ATOM 367 CG ASN A 28 5.403 2.067 -7.208 1.00 0.00 C ATOM 368 OD1 ASN A 28 4.428 1.437 -6.798 1.00 0.00 O ATOM 369 ND2 ASN A 28 6.421 1.484 -7.831 1.00 0.00 N ATOM 0 H ASN A 28 5.961 3.438 -3.893 1.00 0.00 H new ATOM 0 HA ASN A 28 7.172 3.164 -5.734 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.503 3.970 -6.823 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.851 4.027 -7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.414 0.476 -7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.209 2.044 -8.155 1.00 0.00 H new ATOM 376 N GLY A 29 7.559 5.985 -5.173 1.00 0.00 N ATOM 377 CA GLY A 29 8.265 7.236 -5.379 1.00 0.00 C ATOM 378 C GLY A 29 7.441 8.245 -6.156 1.00 0.00 C ATOM 379 O GLY A 29 7.942 8.885 -7.080 1.00 0.00 O ATOM 0 H GLY A 29 7.403 5.737 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.536 7.660 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.195 7.041 -5.914 1.00 0.00 H new ATOM 383 N VAL A 30 6.175 8.387 -5.781 1.00 0.00 N ATOM 384 CA VAL A 30 5.280 9.326 -6.448 1.00 0.00 C ATOM 385 C VAL A 30 4.860 10.450 -5.508 1.00 0.00 C ATOM 386 O VAL A 30 5.232 11.607 -5.703 1.00 0.00 O ATOM 387 CB VAL A 30 4.019 8.619 -6.982 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.196 9.569 -7.839 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.398 7.373 -7.769 1.00 0.00 C ATOM 0 H VAL A 30 5.745 7.864 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 30 5.834 9.747 -7.287 1.00 0.00 H new ATOM 0 HB VAL A 30 3.409 8.313 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.310 9.052 -8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.893 10.428 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.795 9.908 -8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.495 6.887 -8.138 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.030 7.653 -8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.941 6.685 -7.121 1.00 0.00 H new ATOM 399 N LYS A 31 4.082 10.103 -4.488 1.00 0.00 N ATOM 400 CA LYS A 31 3.611 11.085 -3.518 1.00 0.00 C ATOM 401 C LYS A 31 3.490 10.464 -2.127 1.00 0.00 C ATOM 402 O LYS A 31 3.220 9.271 -1.992 1.00 0.00 O ATOM 403 CB LYS A 31 2.260 11.656 -3.952 1.00 0.00 C ATOM 404 CG LYS A 31 2.345 12.560 -5.170 1.00 0.00 C ATOM 405 CD LYS A 31 0.999 12.686 -5.865 1.00 0.00 C ATOM 406 CE LYS A 31 1.115 13.450 -7.175 1.00 0.00 C ATOM 407 NZ LYS A 31 0.340 12.799 -8.268 1.00 0.00 N ATOM 0 H LYS A 31 3.764 9.150 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 31 4.342 11.892 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.579 10.832 -4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.829 12.217 -3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.694 13.548 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.081 12.162 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.594 11.693 -6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.295 13.196 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.757 14.470 -7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.164 13.518 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.512 13.301 -9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.640 11.808 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.675 12.833 -8.042 1.00 0.00 H new ATOM 421 N PRO A 32 3.690 11.271 -1.070 1.00 0.00 N ATOM 422 CA PRO A 32 3.601 10.796 0.313 1.00 0.00 C ATOM 423 C PRO A 32 2.164 10.511 0.737 1.00 0.00 C ATOM 424 O PRO A 32 1.275 11.341 0.548 1.00 0.00 O ATOM 425 CB PRO A 32 4.176 11.958 1.123 1.00 0.00 C ATOM 426 CG PRO A 32 3.915 13.163 0.289 1.00 0.00 C ATOM 427 CD PRO A 32 4.016 12.708 -1.142 1.00 0.00 C ATOM 0 HA PRO A 32 4.131 9.854 0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.694 12.039 2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.243 11.825 1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.928 13.576 0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.641 13.948 0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.319 13.246 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.015 12.873 -1.546 1.00 0.00 H new ATOM 435 N GLY A 33 1.943 9.332 1.308 1.00 0.00 N ATOM 436 CA GLY A 33 0.611 8.958 1.749 1.00 0.00 C ATOM 437 C GLY A 33 0.586 8.498 3.193 1.00 0.00 C ATOM 438 O GLY A 33 1.540 7.886 3.674 1.00 0.00 O ATOM 0 H GLY A 33 2.662 8.628 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.060 9.809 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.231 8.161 1.110 1.00 0.00 H new ATOM 442 N VAL A 34 -0.509 8.792 3.887 1.00 0.00 N ATOM 443 CA VAL A 34 -0.655 8.404 5.284 1.00 0.00 C ATOM 444 C VAL A 34 -1.120 6.956 5.405 1.00 0.00 C ATOM 445 O VAL A 34 -2.238 6.619 5.015 1.00 0.00 O ATOM 446 CB VAL A 34 -1.653 9.316 6.021 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.679 8.994 7.508 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.310 10.781 5.793 1.00 0.00 C ATOM 0 H VAL A 34 -1.308 9.298 3.504 1.00 0.00 H new ATOM 0 HA VAL A 34 0.327 8.508 5.745 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.648 9.132 5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.390 9.650 8.010 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.979 7.956 7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.686 9.145 7.930 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.027 11.409 6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.306 10.982 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.351 11.003 4.727 1.00 0.00 H new ATOM 458 N VAL A 35 -0.256 6.105 5.946 1.00 0.00 N ATOM 459 CA VAL A 35 -0.578 4.694 6.117 1.00 0.00 C ATOM 460 C VAL A 35 -1.709 4.507 7.123 1.00 0.00 C ATOM 461 O VAL A 35 -1.757 5.181 8.152 1.00 0.00 O ATOM 462 CB VAL A 35 0.649 3.890 6.588 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.352 2.400 6.568 1.00 0.00 C ATOM 464 CG2 VAL A 35 1.859 4.212 5.724 1.00 0.00 C ATOM 0 H VAL A 35 0.673 6.368 6.274 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.895 4.322 5.143 1.00 0.00 H new ATOM 0 HB VAL A 35 0.876 4.176 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.231 1.849 6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.486 2.187 7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.098 2.093 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.717 3.636 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.644 3.955 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.084 5.276 5.795 1.00 0.00 H new ATOM 474 N GLN A 36 -2.618 3.586 6.818 1.00 0.00 N ATOM 475 CA GLN A 36 -3.750 3.309 7.695 1.00 0.00 C ATOM 476 C GLN A 36 -3.865 1.815 7.977 1.00 0.00 C ATOM 477 O GLN A 36 -4.043 1.401 9.123 1.00 0.00 O ATOM 478 CB GLN A 36 -5.046 3.825 7.067 1.00 0.00 C ATOM 479 CG GLN A 36 -5.495 5.170 7.616 1.00 0.00 C ATOM 480 CD GLN A 36 -6.178 5.049 8.965 1.00 0.00 C ATOM 481 OE1 GLN A 36 -7.389 4.836 9.043 1.00 0.00 O ATOM 482 NE2 GLN A 36 -5.404 5.184 10.034 1.00 0.00 N ATOM 0 H GLN A 36 -2.593 3.019 5.970 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.583 3.826 8.640 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.909 3.909 5.989 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.836 3.093 7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.631 5.828 7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.178 5.638 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.406 5.360 9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.807 5.112 10.968 1.00 0.00 H new ATOM 491 N TYR A 37 -3.762 1.009 6.925 1.00 0.00 N ATOM 492 CA TYR A 37 -3.854 -0.440 7.059 1.00 0.00 C ATOM 493 C TYR A 37 -2.517 -1.102 6.743 1.00 0.00 C ATOM 494 O TYR A 37 -1.676 -0.528 6.052 1.00 0.00 O ATOM 495 CB TYR A 37 -4.941 -0.990 6.134 1.00 0.00 C ATOM 496 CG TYR A 37 -5.494 -2.326 6.575 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.568 -2.400 7.452 1.00 0.00 C ATOM 498 CD2 TYR A 37 -4.940 -3.515 6.116 1.00 0.00 C ATOM 499 CE1 TYR A 37 -7.077 -3.619 7.859 1.00 0.00 C ATOM 500 CE2 TYR A 37 -5.442 -4.738 6.517 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.510 -4.785 7.388 1.00 0.00 C ATOM 502 OH TYR A 37 -7.013 -6.001 7.790 1.00 0.00 O ATOM 0 H TYR A 37 -3.615 1.335 5.970 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.116 -0.669 8.092 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.757 -0.269 6.078 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.534 -1.089 5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.014 -1.489 7.823 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.103 -3.482 5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.913 -3.658 8.541 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.000 -5.653 6.150 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.502 -6.722 7.367 1.00 0.00 H new ATOM 512 N LEU A 38 -2.328 -2.315 7.252 1.00 0.00 N ATOM 513 CA LEU A 38 -1.093 -3.057 7.024 1.00 0.00 C ATOM 514 C LEU A 38 -1.341 -4.559 7.089 1.00 0.00 C ATOM 515 O LEU A 38 -2.148 -5.032 7.890 1.00 0.00 O ATOM 516 CB LEU A 38 -0.036 -2.657 8.054 1.00 0.00 C ATOM 517 CG LEU A 38 0.717 -1.362 7.743 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.595 -0.959 8.916 1.00 0.00 C ATOM 519 CD2 LEU A 38 1.551 -1.522 6.481 1.00 0.00 C ATOM 0 H LEU A 38 -3.014 -2.805 7.825 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.729 -2.811 6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.519 -2.554 9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.688 -3.467 8.142 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.014 -0.571 7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.122 -0.036 8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.974 -0.803 9.798 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.319 -1.749 9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.080 -0.592 6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.273 -2.327 6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.898 -1.763 5.642 1.00 0.00 H new ATOM 531 N GLY A 39 -0.642 -5.307 6.241 1.00 0.00 N ATOM 532 CA GLY A 39 -0.801 -6.750 6.219 1.00 0.00 C ATOM 533 C GLY A 39 -1.502 -7.237 4.967 1.00 0.00 C ATOM 534 O GLY A 39 -1.689 -6.478 4.016 1.00 0.00 O ATOM 0 H GLY A 39 0.032 -4.940 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.179 -7.222 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.369 -7.063 7.095 1.00 0.00 H new ATOM 538 N GLU A 40 -1.892 -8.508 4.966 1.00 0.00 N ATOM 539 CA GLU A 40 -2.577 -9.096 3.822 1.00 0.00 C ATOM 540 C GLU A 40 -3.982 -8.521 3.673 1.00 0.00 C ATOM 541 O GLU A 40 -4.724 -8.411 4.648 1.00 0.00 O ATOM 542 CB GLU A 40 -2.649 -10.617 3.971 1.00 0.00 C ATOM 543 CG GLU A 40 -1.435 -11.342 3.414 1.00 0.00 C ATOM 544 CD GLU A 40 -1.634 -12.844 3.343 1.00 0.00 C ATOM 545 OE1 GLU A 40 -2.245 -13.315 2.361 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.179 -13.547 4.268 1.00 0.00 O ATOM 0 H GLU A 40 -1.745 -9.150 5.745 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.008 -8.852 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.757 -10.865 5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.543 -10.981 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.215 -10.961 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.568 -11.123 4.037 1.00 0.00 H new ATOM 553 N THR A 41 -4.339 -8.156 2.446 1.00 0.00 N ATOM 554 CA THR A 41 -5.655 -7.592 2.169 1.00 0.00 C ATOM 555 C THR A 41 -6.699 -8.694 2.019 1.00 0.00 C ATOM 556 O THR A 41 -6.392 -9.877 2.166 1.00 0.00 O ATOM 557 CB THR A 41 -5.610 -6.740 0.899 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.939 -7.427 -0.142 1.00 0.00 O ATOM 559 CG2 THR A 41 -4.913 -5.411 1.096 1.00 0.00 C ATOM 0 H THR A 41 -3.736 -8.241 1.628 1.00 0.00 H new ATOM 0 HA THR A 41 -5.937 -6.961 3.012 1.00 0.00 H new ATOM 0 HB THR A 41 -6.652 -6.551 0.640 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.075 -6.998 -0.313 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.916 -4.856 0.158 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.436 -4.835 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.884 -5.583 1.413 1.00 0.00 H new ATOM 567 N GLN A 42 -7.934 -8.298 1.727 1.00 0.00 N ATOM 568 CA GLN A 42 -9.023 -9.254 1.558 1.00 0.00 C ATOM 569 C GLN A 42 -9.534 -9.260 0.120 1.00 0.00 C ATOM 570 O GLN A 42 -10.664 -9.674 -0.143 1.00 0.00 O ATOM 571 CB GLN A 42 -10.169 -8.925 2.517 1.00 0.00 C ATOM 572 CG GLN A 42 -9.830 -9.173 3.978 1.00 0.00 C ATOM 573 CD GLN A 42 -10.590 -10.348 4.563 1.00 0.00 C ATOM 574 OE1 GLN A 42 -11.703 -10.656 4.137 1.00 0.00 O ATOM 575 NE2 GLN A 42 -9.990 -11.011 5.546 1.00 0.00 N ATOM 0 H GLN A 42 -8.206 -7.323 1.603 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.636 -10.247 1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.449 -7.879 2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.040 -9.523 2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.759 -9.354 4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.054 -8.276 4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.067 -10.721 5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.453 -11.810 5.979 1.00 0.00 H new ATOM 584 N PHE A 43 -8.700 -8.801 -0.808 1.00 0.00 N ATOM 585 CA PHE A 43 -9.075 -8.759 -2.218 1.00 0.00 C ATOM 586 C PHE A 43 -8.107 -9.578 -3.067 1.00 0.00 C ATOM 587 O PHE A 43 -8.510 -10.228 -4.031 1.00 0.00 O ATOM 588 CB PHE A 43 -9.116 -7.312 -2.716 1.00 0.00 C ATOM 589 CG PHE A 43 -7.780 -6.626 -2.698 1.00 0.00 C ATOM 590 CD1 PHE A 43 -6.841 -6.883 -3.684 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.464 -5.721 -1.696 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.612 -6.252 -3.671 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.237 -5.087 -1.678 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.309 -5.353 -2.667 1.00 0.00 C ATOM 0 H PHE A 43 -7.762 -8.453 -0.610 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.069 -9.196 -2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.507 -7.299 -3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.813 -6.745 -2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.072 -7.585 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.186 -5.509 -0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.889 -6.461 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.003 -4.384 -0.892 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.349 -4.859 -2.655 1.00 0.00 H new ATOM 604 N ALA A 44 -6.828 -9.544 -2.703 1.00 0.00 N ATOM 605 CA ALA A 44 -5.807 -10.284 -3.433 1.00 0.00 C ATOM 606 C ALA A 44 -4.760 -10.858 -2.481 1.00 0.00 C ATOM 607 O ALA A 44 -4.532 -10.318 -1.398 1.00 0.00 O ATOM 608 CB ALA A 44 -5.145 -9.389 -4.470 1.00 0.00 C ATOM 0 H ALA A 44 -6.476 -9.012 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.292 -11.116 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.385 -9.956 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.896 -9.031 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.679 -8.538 -3.972 1.00 0.00 H new ATOM 614 N PRO A 45 -4.109 -11.967 -2.873 1.00 0.00 N ATOM 615 CA PRO A 45 -3.083 -12.613 -2.049 1.00 0.00 C ATOM 616 C PRO A 45 -1.817 -11.772 -1.935 1.00 0.00 C ATOM 617 O PRO A 45 -1.665 -10.764 -2.625 1.00 0.00 O ATOM 618 CB PRO A 45 -2.795 -13.918 -2.795 1.00 0.00 C ATOM 619 CG PRO A 45 -3.167 -13.635 -4.209 1.00 0.00 C ATOM 620 CD PRO A 45 -4.322 -12.676 -4.149 1.00 0.00 C ATOM 0 HA PRO A 45 -3.419 -12.760 -1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.745 -14.199 -2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.380 -14.743 -2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.328 -13.202 -4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.447 -14.551 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.319 -11.990 -4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.279 -13.198 -4.164 1.00 0.00 H new ATOM 628 N GLY A 46 -0.909 -12.194 -1.060 1.00 0.00 N ATOM 629 CA GLY A 46 0.334 -11.468 -0.874 1.00 0.00 C ATOM 630 C GLY A 46 0.200 -10.336 0.125 1.00 0.00 C ATOM 631 O GLY A 46 -0.909 -9.919 0.458 1.00 0.00 O ATOM 0 H GLY A 46 -1.012 -13.025 -0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.107 -12.158 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.663 -11.066 -1.832 1.00 0.00 H new ATOM 635 N GLN A 47 1.334 -9.836 0.604 1.00 0.00 N ATOM 636 CA GLN A 47 1.341 -8.745 1.572 1.00 0.00 C ATOM 637 C GLN A 47 0.890 -7.440 0.922 1.00 0.00 C ATOM 638 O GLN A 47 1.155 -7.198 -0.256 1.00 0.00 O ATOM 639 CB GLN A 47 2.738 -8.573 2.170 1.00 0.00 C ATOM 640 CG GLN A 47 3.262 -9.825 2.857 1.00 0.00 C ATOM 641 CD GLN A 47 2.462 -10.190 4.093 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.432 -9.581 4.382 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.935 -11.189 4.829 1.00 0.00 N ATOM 0 H GLN A 47 2.261 -10.169 0.338 1.00 0.00 H new ATOM 0 HA GLN A 47 0.641 -8.996 2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.430 -8.285 1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.718 -7.754 2.890 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.238 -10.658 2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.305 -9.673 3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.793 -11.665 4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.440 -11.480 5.672 1.00 0.00 H new ATOM 652 N TRP A 48 0.209 -6.602 1.698 1.00 0.00 N ATOM 653 CA TRP A 48 -0.277 -5.322 1.198 1.00 0.00 C ATOM 654 C TRP A 48 -0.066 -4.219 2.230 1.00 0.00 C ATOM 655 O TRP A 48 0.359 -4.481 3.355 1.00 0.00 O ATOM 656 CB TRP A 48 -1.760 -5.423 0.838 1.00 0.00 C ATOM 657 CG TRP A 48 -2.003 -6.044 -0.505 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.202 -7.368 -0.770 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.072 -5.366 -1.764 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.391 -7.554 -2.119 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.315 -6.341 -2.750 1.00 0.00 C ATOM 662 CE3 TRP A 48 -1.952 -4.029 -2.153 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.440 -6.020 -4.100 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.077 -3.712 -3.494 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.318 -4.704 -4.452 1.00 0.00 C ATOM 0 H TRP A 48 -0.018 -6.787 2.675 1.00 0.00 H new ATOM 0 HA TRP A 48 0.291 -5.070 0.303 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.273 -6.010 1.600 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.200 -4.426 0.854 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.210 -8.154 -0.029 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.560 -8.450 -2.576 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.765 -3.258 -1.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.626 -6.783 -4.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.987 -2.682 -3.807 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.410 -4.424 -5.491 1.00 0.00 H new ATOM 676 N ALA A 49 -0.369 -2.986 1.840 1.00 0.00 N ATOM 677 CA ALA A 49 -0.212 -1.843 2.732 1.00 0.00 C ATOM 678 C ALA A 49 -1.127 -0.694 2.319 1.00 0.00 C ATOM 679 O ALA A 49 -0.884 -0.025 1.314 1.00 0.00 O ATOM 680 CB ALA A 49 1.240 -1.386 2.753 1.00 0.00 C ATOM 0 H ALA A 49 -0.724 -2.752 0.913 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.497 -2.155 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.343 -0.532 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.873 -2.201 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.545 -1.097 1.747 1.00 0.00 H new ATOM 686 N GLY A 50 -2.179 -0.472 3.100 1.00 0.00 N ATOM 687 CA GLY A 50 -3.114 0.596 2.798 1.00 0.00 C ATOM 688 C GLY A 50 -2.542 1.969 3.092 1.00 0.00 C ATOM 689 O GLY A 50 -2.084 2.232 4.204 1.00 0.00 O ATOM 0 H GLY A 50 -2.401 -1.012 3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.396 0.541 1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.024 0.453 3.380 1.00 0.00 H new ATOM 693 N VAL A 51 -2.567 2.845 2.093 1.00 0.00 N ATOM 694 CA VAL A 51 -2.046 4.198 2.250 1.00 0.00 C ATOM 695 C VAL A 51 -3.077 5.236 1.818 1.00 0.00 C ATOM 696 O VAL A 51 -3.790 5.045 0.834 1.00 0.00 O ATOM 697 CB VAL A 51 -0.755 4.403 1.433 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.143 5.763 1.730 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.242 3.288 1.717 1.00 0.00 C ATOM 0 H VAL A 51 -2.942 2.642 1.166 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.821 4.329 3.308 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.010 4.369 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.767 5.888 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.854 6.547 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.097 5.830 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.146 3.451 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.493 3.285 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.198 2.328 1.446 1.00 0.00 H new ATOM 709 N VAL A 52 -3.151 6.334 2.563 1.00 0.00 N ATOM 710 CA VAL A 52 -4.094 7.402 2.258 1.00 0.00 C ATOM 711 C VAL A 52 -3.386 8.601 1.636 1.00 0.00 C ATOM 712 O VAL A 52 -2.782 9.411 2.339 1.00 0.00 O ATOM 713 CB VAL A 52 -4.847 7.865 3.520 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.962 8.832 3.154 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.397 6.669 4.282 1.00 0.00 C ATOM 0 H VAL A 52 -2.569 6.507 3.382 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.810 6.995 1.544 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.144 8.388 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.482 9.147 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.538 9.704 2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.666 8.339 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.926 7.015 5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.085 6.116 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.575 6.018 4.580 1.00 0.00 H new ATOM 725 N LEU A 53 -3.464 8.707 0.314 1.00 0.00 N ATOM 726 CA LEU A 53 -2.830 9.808 -0.403 1.00 0.00 C ATOM 727 C LEU A 53 -3.436 11.146 0.009 1.00 0.00 C ATOM 728 O LEU A 53 -4.645 11.252 0.217 1.00 0.00 O ATOM 729 CB LEU A 53 -2.976 9.613 -1.914 1.00 0.00 C ATOM 730 CG LEU A 53 -1.882 8.766 -2.566 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.182 8.552 -4.041 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.522 9.423 -2.386 1.00 0.00 C ATOM 0 H LEU A 53 -3.960 8.045 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.771 9.814 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.942 9.148 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.989 10.593 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.861 7.793 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.393 7.947 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.137 8.038 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.231 9.517 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.245 8.807 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.530 10.409 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.305 9.524 -1.323 1.00 0.00 H new ATOM 744 N ASP A 54 -2.590 12.163 0.125 1.00 0.00 N ATOM 745 CA ASP A 54 -3.042 13.494 0.513 1.00 0.00 C ATOM 746 C ASP A 54 -3.950 14.093 -0.557 1.00 0.00 C ATOM 747 O ASP A 54 -4.932 14.767 -0.247 1.00 0.00 O ATOM 748 CB ASP A 54 -1.844 14.413 0.756 1.00 0.00 C ATOM 749 CG ASP A 54 -2.211 15.641 1.566 1.00 0.00 C ATOM 750 OD1 ASP A 54 -2.957 16.495 1.043 1.00 0.00 O ATOM 751 OD2 ASP A 54 -1.754 15.747 2.723 1.00 0.00 O ATOM 0 H ASP A 54 -1.587 12.091 -0.044 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.612 13.402 1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.064 13.858 1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.428 14.724 -0.202 1.00 0.00 H new ATOM 756 N ASP A 55 -3.613 13.842 -1.819 1.00 0.00 N ATOM 757 CA ASP A 55 -4.396 14.357 -2.935 1.00 0.00 C ATOM 758 C ASP A 55 -5.263 13.258 -3.546 1.00 0.00 C ATOM 759 O ASP A 55 -4.950 12.073 -3.428 1.00 0.00 O ATOM 760 CB ASP A 55 -3.475 14.948 -4.003 1.00 0.00 C ATOM 761 CG ASP A 55 -3.220 16.428 -3.792 1.00 0.00 C ATOM 762 OD1 ASP A 55 -4.190 17.166 -3.523 1.00 0.00 O ATOM 763 OD2 ASP A 55 -2.048 16.849 -3.897 1.00 0.00 O ATOM 0 H ASP A 55 -2.803 13.285 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.050 15.142 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.525 14.414 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.919 14.795 -4.987 1.00 0.00 H new ATOM 768 N PRO A 56 -6.368 13.639 -4.209 1.00 0.00 N ATOM 769 CA PRO A 56 -7.280 12.679 -4.840 1.00 0.00 C ATOM 770 C PRO A 56 -6.665 12.016 -6.068 1.00 0.00 C ATOM 771 O PRO A 56 -7.157 12.176 -7.186 1.00 0.00 O ATOM 772 CB PRO A 56 -8.481 13.539 -5.239 1.00 0.00 C ATOM 773 CG PRO A 56 -7.925 14.911 -5.404 1.00 0.00 C ATOM 774 CD PRO A 56 -6.814 15.033 -4.397 1.00 0.00 C ATOM 0 HA PRO A 56 -7.533 11.856 -4.171 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.934 13.182 -6.164 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.257 13.515 -4.474 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.551 15.061 -6.417 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.692 15.666 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.007 15.667 -4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.165 15.472 -3.463 1.00 0.00 H new ATOM 782 N VAL A 57 -5.584 11.272 -5.853 1.00 0.00 N ATOM 783 CA VAL A 57 -4.901 10.586 -6.942 1.00 0.00 C ATOM 784 C VAL A 57 -4.584 9.142 -6.567 1.00 0.00 C ATOM 785 O VAL A 57 -3.591 8.575 -7.024 1.00 0.00 O ATOM 786 CB VAL A 57 -3.593 11.303 -7.326 1.00 0.00 C ATOM 787 CG1 VAL A 57 -3.891 12.593 -8.075 1.00 0.00 C ATOM 788 CG2 VAL A 57 -2.751 11.577 -6.090 1.00 0.00 C ATOM 0 H VAL A 57 -5.163 11.130 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.577 10.598 -7.797 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.023 10.650 -7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.955 13.086 -8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.449 12.366 -8.983 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.483 13.253 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.831 12.084 -6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.311 12.209 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.506 10.635 -5.600 1.00 0.00 H new ATOM 798 N GLY A 58 -5.434 8.552 -5.734 1.00 0.00 N ATOM 799 CA GLY A 58 -5.228 7.179 -5.313 1.00 0.00 C ATOM 800 C GLY A 58 -5.985 6.187 -6.174 1.00 0.00 C ATOM 801 O GLY A 58 -5.998 6.303 -7.399 1.00 0.00 O ATOM 0 H GLY A 58 -6.262 9.000 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.163 6.948 -5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.544 7.069 -4.275 1.00 0.00 H new ATOM 805 N LYS A 59 -6.616 5.210 -5.532 1.00 0.00 N ATOM 806 CA LYS A 59 -7.379 4.194 -6.247 1.00 0.00 C ATOM 807 C LYS A 59 -8.744 3.983 -5.601 1.00 0.00 C ATOM 808 O LYS A 59 -9.771 4.376 -6.155 1.00 0.00 O ATOM 809 CB LYS A 59 -6.606 2.874 -6.276 1.00 0.00 C ATOM 810 CG LYS A 59 -5.638 2.760 -7.441 1.00 0.00 C ATOM 811 CD LYS A 59 -6.298 2.122 -8.653 1.00 0.00 C ATOM 812 CE LYS A 59 -5.955 0.645 -8.759 1.00 0.00 C ATOM 813 NZ LYS A 59 -6.998 -0.215 -8.135 1.00 0.00 N ATOM 0 H LYS A 59 -6.614 5.100 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.531 4.541 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.053 2.766 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.316 2.048 -6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.268 3.750 -7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.774 2.167 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.379 2.242 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.976 2.638 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.841 0.373 -9.808 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.996 0.460 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.726 -1.214 -8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.089 0.026 -7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.909 -0.058 -8.612 1.00 0.00 H new ATOM 827 N ASN A 60 -8.748 3.362 -4.426 1.00 0.00 N ATOM 828 CA ASN A 60 -9.987 3.100 -3.705 1.00 0.00 C ATOM 829 C ASN A 60 -10.338 4.266 -2.786 1.00 0.00 C ATOM 830 O ASN A 60 -9.635 5.277 -2.750 1.00 0.00 O ATOM 831 CB ASN A 60 -9.863 1.813 -2.887 1.00 0.00 C ATOM 832 CG ASN A 60 -9.682 0.588 -3.762 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.603 0.171 -4.464 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.490 0.005 -3.723 1.00 0.00 N ATOM 0 H ASN A 60 -7.907 3.031 -3.953 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.786 2.983 -4.437 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.016 1.898 -2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.755 1.689 -2.272 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.309 -0.823 -4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.756 0.385 -3.126 1.00 0.00 H new ATOM 841 N ASP A 61 -11.432 4.120 -2.045 1.00 0.00 N ATOM 842 CA ASP A 61 -11.877 5.161 -1.126 1.00 0.00 C ATOM 843 C ASP A 61 -11.624 4.753 0.323 1.00 0.00 C ATOM 844 O ASP A 61 -11.377 5.599 1.183 1.00 0.00 O ATOM 845 CB ASP A 61 -13.364 5.452 -1.332 1.00 0.00 C ATOM 846 CG ASP A 61 -14.225 4.217 -1.153 1.00 0.00 C ATOM 847 OD1 ASP A 61 -13.933 3.190 -1.801 1.00 0.00 O ATOM 848 OD2 ASP A 61 -15.192 4.277 -0.363 1.00 0.00 O ATOM 0 H ASP A 61 -12.026 3.291 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.304 6.064 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.682 6.219 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.517 5.856 -2.333 1.00 0.00 H new ATOM 853 N GLY A 62 -11.688 3.452 0.585 1.00 0.00 N ATOM 854 CA GLY A 62 -11.463 2.955 1.929 1.00 0.00 C ATOM 855 C GLY A 62 -11.803 1.483 2.068 1.00 0.00 C ATOM 856 O GLY A 62 -11.168 0.762 2.837 1.00 0.00 O ATOM 0 H GLY A 62 -11.892 2.733 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.419 3.111 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.065 3.532 2.632 1.00 0.00 H new ATOM 860 N ALA A 63 -12.810 1.038 1.323 1.00 0.00 N ATOM 861 CA ALA A 63 -13.234 -0.357 1.365 1.00 0.00 C ATOM 862 C ALA A 63 -13.061 -1.025 0.006 1.00 0.00 C ATOM 863 O ALA A 63 -13.425 -0.459 -1.026 1.00 0.00 O ATOM 864 CB ALA A 63 -14.682 -0.452 1.823 1.00 0.00 C ATOM 0 H ALA A 63 -13.347 1.623 0.683 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.602 -0.883 2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.987 -1.498 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.778 -0.020 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.320 0.094 1.128 1.00 0.00 H new ATOM 870 N VAL A 64 -12.504 -2.231 0.012 1.00 0.00 N ATOM 871 CA VAL A 64 -12.282 -2.977 -1.222 1.00 0.00 C ATOM 872 C VAL A 64 -12.960 -4.342 -1.166 1.00 0.00 C ATOM 873 O VAL A 64 -12.765 -5.105 -0.220 1.00 0.00 O ATOM 874 CB VAL A 64 -10.780 -3.174 -1.498 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.564 -3.774 -2.878 1.00 0.00 C ATOM 876 CG2 VAL A 64 -10.034 -1.856 -1.359 1.00 0.00 C ATOM 0 H VAL A 64 -12.198 -2.713 0.857 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.717 -2.389 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.382 -3.870 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.496 -3.906 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.063 -4.741 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.977 -3.106 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.974 -2.015 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.433 -1.135 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.160 -1.472 -0.347 1.00 0.00 H new ATOM 886 N GLY A 65 -13.756 -4.643 -2.186 1.00 0.00 N ATOM 887 CA GLY A 65 -14.450 -5.917 -2.234 1.00 0.00 C ATOM 888 C GLY A 65 -15.595 -5.990 -1.244 1.00 0.00 C ATOM 889 O GLY A 65 -16.728 -5.632 -1.567 1.00 0.00 O ATOM 0 H GLY A 65 -13.933 -4.028 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.833 -6.081 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.743 -6.721 -2.027 1.00 0.00 H new ATOM 893 N GLY A 66 -15.301 -6.455 -0.035 1.00 0.00 N ATOM 894 CA GLY A 66 -16.326 -6.566 0.988 1.00 0.00 C ATOM 895 C GLY A 66 -15.763 -6.439 2.389 1.00 0.00 C ATOM 896 O GLY A 66 -16.295 -7.023 3.334 1.00 0.00 O ATOM 0 H GLY A 66 -14.371 -6.757 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.078 -5.792 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.832 -7.527 0.889 1.00 0.00 H new ATOM 900 N VAL A 67 -14.685 -5.674 2.526 1.00 0.00 N ATOM 901 CA VAL A 67 -14.051 -5.473 3.822 1.00 0.00 C ATOM 902 C VAL A 67 -13.535 -4.045 3.967 1.00 0.00 C ATOM 903 O VAL A 67 -13.045 -3.451 3.006 1.00 0.00 O ATOM 904 CB VAL A 67 -12.880 -6.452 4.034 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.362 -6.364 5.462 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.305 -7.872 3.700 1.00 0.00 C ATOM 0 H VAL A 67 -14.233 -5.183 1.755 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.814 -5.660 4.578 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.070 -6.172 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.535 -7.062 5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.015 -5.350 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.164 -6.616 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.465 -8.549 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.132 -8.166 4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.623 -7.921 2.658 1.00 0.00 H new ATOM 916 N ARG A 68 -13.651 -3.499 5.172 1.00 0.00 N ATOM 917 CA ARG A 68 -13.196 -2.140 5.443 1.00 0.00 C ATOM 918 C ARG A 68 -11.793 -2.145 6.044 1.00 0.00 C ATOM 919 O ARG A 68 -11.511 -2.894 6.978 1.00 0.00 O ATOM 920 CB ARG A 68 -14.168 -1.435 6.392 1.00 0.00 C ATOM 921 CG ARG A 68 -14.459 0.006 6.002 1.00 0.00 C ATOM 922 CD ARG A 68 -15.151 0.759 7.127 1.00 0.00 C ATOM 923 NE ARG A 68 -16.223 1.620 6.631 1.00 0.00 N ATOM 924 CZ ARG A 68 -17.183 2.127 7.400 1.00 0.00 C ATOM 925 NH1 ARG A 68 -17.211 1.862 8.700 1.00 0.00 N ATOM 926 NH2 ARG A 68 -18.119 2.901 6.868 1.00 0.00 N ATOM 0 H ARG A 68 -14.056 -3.976 5.977 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.164 -1.598 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.105 -1.992 6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.756 -1.454 7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.527 0.510 5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.087 0.023 5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.560 0.046 7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.419 1.363 7.663 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.236 1.845 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -16.494 1.267 9.115 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.950 2.254 9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.103 3.108 5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.855 3.290 7.457 1.00 0.00 H new ATOM 940 N TYR A 69 -10.919 -1.305 5.500 1.00 0.00 N ATOM 941 CA TYR A 69 -9.546 -1.214 5.982 1.00 0.00 C ATOM 942 C TYR A 69 -9.333 0.068 6.781 1.00 0.00 C ATOM 943 O TYR A 69 -8.637 0.070 7.797 1.00 0.00 O ATOM 944 CB TYR A 69 -8.566 -1.265 4.808 1.00 0.00 C ATOM 945 CG TYR A 69 -8.719 -2.497 3.945 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.714 -2.571 2.977 1.00 0.00 C ATOM 947 CD2 TYR A 69 -7.870 -3.586 4.097 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.857 -3.695 2.187 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.007 -4.713 3.311 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.002 -4.763 2.357 1.00 0.00 C ATOM 951 OH TYR A 69 -9.141 -5.885 1.572 1.00 0.00 O ATOM 0 H TYR A 69 -11.137 -0.678 4.726 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.361 -2.065 6.638 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.707 -0.379 4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.547 -1.226 5.194 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.386 -1.736 2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.090 -3.551 4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.635 -3.737 1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.339 -5.551 3.443 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.505 -5.630 0.698 1.00 0.00 H new ATOM 961 N PHE A 70 -9.937 1.157 6.316 1.00 0.00 N ATOM 962 CA PHE A 70 -9.813 2.445 6.988 1.00 0.00 C ATOM 963 C PHE A 70 -10.849 3.435 6.464 1.00 0.00 C ATOM 964 O PHE A 70 -11.230 3.389 5.294 1.00 0.00 O ATOM 965 CB PHE A 70 -8.405 3.012 6.793 1.00 0.00 C ATOM 966 CG PHE A 70 -7.966 3.047 5.357 1.00 0.00 C ATOM 967 CD1 PHE A 70 -8.273 4.131 4.551 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.245 1.995 4.814 1.00 0.00 C ATOM 969 CE1 PHE A 70 -7.870 4.165 3.229 1.00 0.00 C ATOM 970 CE2 PHE A 70 -6.839 2.025 3.493 1.00 0.00 C ATOM 971 CZ PHE A 70 -7.152 3.111 2.701 1.00 0.00 C ATOM 0 H PHE A 70 -10.517 1.173 5.477 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.991 2.290 8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.369 4.022 7.200 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.698 2.412 7.366 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.833 4.959 4.960 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.998 1.143 5.430 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.117 5.015 2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.277 1.199 3.081 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.835 3.136 1.669 1.00 0.00 H new ATOM 981 N GLU A 71 -11.300 4.328 7.337 1.00 0.00 N ATOM 982 CA GLU A 71 -12.291 5.329 6.963 1.00 0.00 C ATOM 983 C GLU A 71 -11.619 6.636 6.559 1.00 0.00 C ATOM 984 O GLU A 71 -11.126 7.381 7.406 1.00 0.00 O ATOM 985 CB GLU A 71 -13.260 5.577 8.121 1.00 0.00 C ATOM 986 CG GLU A 71 -14.551 6.259 7.698 1.00 0.00 C ATOM 987 CD GLU A 71 -15.729 5.868 8.570 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.931 4.654 8.785 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.448 6.775 9.037 1.00 0.00 O ATOM 0 H GLU A 71 -10.995 4.379 8.309 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.849 4.948 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.500 4.624 8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.764 6.190 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.417 7.340 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.770 6.003 6.661 1.00 0.00 H new ATOM 996 N CYS A 72 -11.602 6.910 5.258 1.00 0.00 N ATOM 997 CA CYS A 72 -10.990 8.127 4.741 1.00 0.00 C ATOM 998 C CYS A 72 -11.667 8.569 3.444 1.00 0.00 C ATOM 999 O CYS A 72 -12.465 7.829 2.869 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.494 7.909 4.503 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.437 8.522 5.835 1.00 0.00 S ATOM 0 H CYS A 72 -12.006 6.305 4.543 1.00 0.00 H new ATOM 0 HA CYS A 72 -11.121 8.914 5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.310 6.843 4.369 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.210 8.401 3.573 1.00 0.00 H new ATOM 0 HG CYS A 72 -9.020 8.321 6.979 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.355 9.787 2.967 1.00 0.00 N ATOM 1008 CA PRO A 73 -11.937 10.323 1.732 1.00 0.00 C ATOM 1009 C PRO A 73 -11.804 9.358 0.560 1.00 0.00 C ATOM 1010 O PRO A 73 -11.101 8.350 0.649 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.121 11.592 1.476 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.633 12.006 2.821 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.411 10.733 3.592 1.00 0.00 C ATOM 0 HA PRO A 73 -13.008 10.501 1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.291 11.399 0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.732 12.371 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.710 12.580 2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.362 12.643 3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.381 10.387 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.618 10.865 4.654 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.481 9.671 -0.539 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.439 8.831 -1.730 1.00 0.00 C ATOM 1023 C ALA A 74 -11.236 9.175 -2.601 1.00 0.00 C ATOM 1024 O ALA A 74 -10.694 10.278 -2.521 1.00 0.00 O ATOM 1025 CB ALA A 74 -13.727 8.975 -2.525 1.00 0.00 C ATOM 0 H ALA A 74 -13.066 10.501 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.339 7.794 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.680 8.342 -3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.572 8.672 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.853 10.014 -2.828 1.00 0.00 H new ATOM 1031 N LEU A 75 -10.822 8.225 -3.433 1.00 0.00 N ATOM 1032 CA LEU A 75 -9.682 8.427 -4.321 1.00 0.00 C ATOM 1033 C LEU A 75 -8.419 8.744 -3.524 1.00 0.00 C ATOM 1034 O LEU A 75 -7.497 9.381 -4.035 1.00 0.00 O ATOM 1035 CB LEU A 75 -9.974 9.560 -5.306 1.00 0.00 C ATOM 1036 CG LEU A 75 -10.682 9.134 -6.593 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -11.164 10.351 -7.366 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -9.758 8.284 -7.452 1.00 0.00 C ATOM 0 H LEU A 75 -11.259 7.307 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.517 7.503 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.586 10.309 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.033 10.043 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.551 8.533 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.665 10.028 -8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.861 10.920 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.312 10.980 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.278 7.989 -8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.869 8.860 -7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.464 7.393 -6.898 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.383 8.295 -2.274 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.231 8.532 -1.410 1.00 0.00 C ATOM 1052 C GLN A 76 -6.716 7.225 -0.816 1.00 0.00 C ATOM 1053 O GLN A 76 -5.509 7.008 -0.720 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.598 9.507 -0.289 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.579 10.965 -0.721 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.728 11.919 0.446 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.602 12.787 0.447 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -6.872 11.765 1.450 1.00 0.00 N ATOM 0 H GLN A 76 -9.137 7.766 -1.836 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.439 8.970 -2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.592 9.260 0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.903 9.373 0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.644 11.174 -1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.385 11.140 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.163 11.033 1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.923 12.379 2.263 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.641 6.360 -0.420 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.265 5.084 0.160 1.00 0.00 C ATOM 1069 C GLY A 77 -6.734 4.112 -0.875 1.00 0.00 C ATOM 1070 O GLY A 77 -7.415 3.155 -1.244 1.00 0.00 O ATOM 0 H GLY A 77 -8.646 6.519 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.506 5.246 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.130 4.645 0.657 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.515 4.356 -1.343 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.892 3.495 -2.341 1.00 0.00 C ATOM 1076 C ILE A 78 -4.175 2.320 -1.682 1.00 0.00 C ATOM 1077 O ILE A 78 -3.626 2.450 -0.588 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.890 4.279 -3.214 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.335 3.385 -4.324 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.760 4.836 -2.359 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -3.157 4.102 -5.645 1.00 0.00 C ATOM 0 H ILE A 78 -4.938 5.144 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.691 3.115 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.414 5.115 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.374 2.980 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.006 2.538 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.063 5.386 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.171 5.506 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.236 4.015 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.760 3.407 -6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.120 4.483 -5.985 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.462 4.932 -5.518 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.183 1.175 -2.357 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.533 -0.023 -1.837 1.00 0.00 C ATOM 1095 C PHE A 79 -2.335 -0.410 -2.698 1.00 0.00 C ATOM 1096 O PHE A 79 -2.423 -0.436 -3.926 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.529 -1.184 -1.777 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.572 -1.025 -0.707 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -6.435 0.059 -0.718 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -5.688 -1.959 0.309 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -7.395 0.208 0.265 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -6.646 -1.816 1.295 1.00 0.00 C ATOM 1103 CZ PHE A 79 -7.501 -0.731 1.272 1.00 0.00 C ATOM 0 H PHE A 79 -4.632 1.051 -3.264 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.178 0.195 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.023 -1.278 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.983 -2.112 -1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.357 0.796 -1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.022 -2.809 0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.061 1.058 0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.726 -2.551 2.082 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.251 -0.617 2.041 1.00 0.00 H new ATOM 1113 N THR A 80 -1.217 -0.712 -2.046 1.00 0.00 N ATOM 1114 CA THR A 80 -0.001 -1.099 -2.752 1.00 0.00 C ATOM 1115 C THR A 80 0.859 -2.016 -1.890 1.00 0.00 C ATOM 1116 O THR A 80 0.498 -2.337 -0.757 1.00 0.00 O ATOM 1117 CB THR A 80 0.797 0.142 -3.154 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.998 -0.225 -3.809 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.166 1.023 -1.979 1.00 0.00 C ATOM 0 H THR A 80 -1.128 -0.696 -1.030 1.00 0.00 H new ATOM 0 HA THR A 80 -0.289 -1.643 -3.652 1.00 0.00 H new ATOM 0 HB THR A 80 0.141 0.705 -3.818 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.494 0.582 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.731 1.885 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.258 1.364 -1.481 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.775 0.455 -1.276 1.00 0.00 H new ATOM 1127 N ARG A 81 1.999 -2.434 -2.431 1.00 0.00 N ATOM 1128 CA ARG A 81 2.909 -3.315 -1.710 1.00 0.00 C ATOM 1129 C ARG A 81 3.821 -2.514 -0.781 1.00 0.00 C ATOM 1130 O ARG A 81 4.312 -1.448 -1.152 1.00 0.00 O ATOM 1131 CB ARG A 81 3.753 -4.128 -2.694 1.00 0.00 C ATOM 1132 CG ARG A 81 2.944 -4.758 -3.817 1.00 0.00 C ATOM 1133 CD ARG A 81 3.758 -4.874 -5.096 1.00 0.00 C ATOM 1134 NE ARG A 81 3.851 -6.254 -5.563 1.00 0.00 N ATOM 1135 CZ ARG A 81 4.774 -6.687 -6.419 1.00 0.00 C ATOM 1136 NH1 ARG A 81 5.682 -5.851 -6.905 1.00 0.00 N ATOM 1137 NH2 ARG A 81 4.789 -7.960 -6.790 1.00 0.00 N ATOM 0 H ARG A 81 2.314 -2.176 -3.366 1.00 0.00 H new ATOM 0 HA ARG A 81 2.311 -3.997 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.516 -3.480 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.275 -4.914 -2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.604 -5.747 -3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.053 -4.159 -4.005 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.303 -4.259 -5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.760 -4.481 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 81 3.168 -6.926 -5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.675 -4.871 -6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.387 -6.188 -7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.093 -8.607 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.496 -8.292 -7.446 1.00 0.00 H new ATOM 1151 N PRO A 82 4.062 -3.016 0.444 1.00 0.00 N ATOM 1152 CA PRO A 82 4.921 -2.335 1.419 1.00 0.00 C ATOM 1153 C PRO A 82 6.298 -2.008 0.848 1.00 0.00 C ATOM 1154 O PRO A 82 6.800 -0.896 1.012 1.00 0.00 O ATOM 1155 CB PRO A 82 5.046 -3.349 2.559 1.00 0.00 C ATOM 1156 CG PRO A 82 3.833 -4.206 2.442 1.00 0.00 C ATOM 1157 CD PRO A 82 3.520 -4.282 0.974 1.00 0.00 C ATOM 0 HA PRO A 82 4.503 -1.377 1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.958 -3.939 2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.087 -2.852 3.528 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.015 -5.199 2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.998 -3.779 2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.990 -5.147 0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.448 -4.366 0.795 1.00 0.00 H new ATOM 1165 N SER A 83 6.902 -2.984 0.179 1.00 0.00 N ATOM 1166 CA SER A 83 8.223 -2.803 -0.414 1.00 0.00 C ATOM 1167 C SER A 83 8.211 -1.673 -1.440 1.00 0.00 C ATOM 1168 O SER A 83 9.217 -0.994 -1.641 1.00 0.00 O ATOM 1169 CB SER A 83 8.692 -4.103 -1.070 1.00 0.00 C ATOM 1170 OG SER A 83 10.004 -4.439 -0.654 1.00 0.00 O ATOM 0 H SER A 83 6.498 -3.909 0.033 1.00 0.00 H new ATOM 0 HA SER A 83 8.918 -2.535 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.007 -4.911 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.667 -3.997 -2.154 1.00 0.00 H new ATOM 0 HG SER A 83 10.280 -5.274 -1.086 1.00 0.00 H new ATOM 1176 N LYS A 84 7.066 -1.478 -2.087 1.00 0.00 N ATOM 1177 CA LYS A 84 6.926 -0.432 -3.093 1.00 0.00 C ATOM 1178 C LYS A 84 6.954 0.952 -2.450 1.00 0.00 C ATOM 1179 O LYS A 84 7.389 1.924 -3.066 1.00 0.00 O ATOM 1180 CB LYS A 84 5.625 -0.616 -3.876 1.00 0.00 C ATOM 1181 CG LYS A 84 5.594 -1.887 -4.710 1.00 0.00 C ATOM 1182 CD LYS A 84 6.084 -1.634 -6.126 1.00 0.00 C ATOM 1183 CE LYS A 84 7.563 -1.959 -6.270 1.00 0.00 C ATOM 1184 NZ LYS A 84 8.412 -0.740 -6.167 1.00 0.00 N ATOM 0 H LYS A 84 6.223 -2.030 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 84 7.769 -0.511 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.788 -0.629 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.480 0.243 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.216 -2.648 -4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.578 -2.279 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.507 -2.240 -6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.912 -0.591 -6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.855 -2.671 -5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.737 -2.442 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.849 -0.542 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.824 0.069 -5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.156 -0.894 -5.457 1.00 0.00 H new ATOM 1198 N LEU A 85 6.486 1.032 -1.208 1.00 0.00 N ATOM 1199 CA LEU A 85 6.457 2.299 -0.484 1.00 0.00 C ATOM 1200 C LEU A 85 7.852 2.682 0.000 1.00 0.00 C ATOM 1201 O LEU A 85 8.732 1.831 0.127 1.00 0.00 O ATOM 1202 CB LEU A 85 5.500 2.209 0.706 1.00 0.00 C ATOM 1203 CG LEU A 85 4.098 1.696 0.373 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.327 1.388 1.647 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.348 2.712 -0.475 1.00 0.00 C ATOM 0 H LEU A 85 6.122 0.237 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 85 6.104 3.071 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.941 1.554 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.411 3.198 1.157 1.00 0.00 H new ATOM 0 HG LEU A 85 4.194 0.774 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.332 1.024 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.857 0.625 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.239 2.294 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.352 2.331 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.261 3.650 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.892 2.883 -1.404 1.00 0.00 H new ATOM 1217 N THR A 86 8.044 3.969 0.271 1.00 0.00 N ATOM 1218 CA THR A 86 9.332 4.467 0.743 1.00 0.00 C ATOM 1219 C THR A 86 9.144 5.634 1.705 1.00 0.00 C ATOM 1220 O THR A 86 8.019 6.053 1.977 1.00 0.00 O ATOM 1221 CB THR A 86 10.201 4.898 -0.441 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.518 5.845 -1.245 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.611 3.747 -1.333 1.00 0.00 C ATOM 0 H THR A 86 7.325 4.686 0.172 1.00 0.00 H new ATOM 0 HA THR A 86 9.833 3.659 1.276 1.00 0.00 H new ATOM 0 HB THR A 86 11.099 5.330 0.001 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.002 6.697 -1.230 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.225 4.122 -2.152 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.183 3.023 -0.753 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.721 3.265 -1.738 1.00 0.00 H new ATOM 1231 N ARG A 87 10.254 6.157 2.217 1.00 0.00 N ATOM 1232 CA ARG A 87 10.211 7.277 3.150 1.00 0.00 C ATOM 1233 C ARG A 87 10.848 8.520 2.537 1.00 0.00 C ATOM 1234 O ARG A 87 11.461 9.326 3.239 1.00 0.00 O ATOM 1235 CB ARG A 87 10.927 6.912 4.452 1.00 0.00 C ATOM 1236 CG ARG A 87 10.282 5.752 5.194 1.00 0.00 C ATOM 1237 CD ARG A 87 10.938 5.521 6.546 1.00 0.00 C ATOM 1238 NE ARG A 87 10.038 4.854 7.484 1.00 0.00 N ATOM 1239 CZ ARG A 87 10.447 4.218 8.580 1.00 0.00 C ATOM 1240 NH1 ARG A 87 11.739 4.163 8.881 1.00 0.00 N ATOM 1241 NH2 ARG A 87 9.562 3.638 9.377 1.00 0.00 N ATOM 0 H ARG A 87 11.193 5.823 2.002 1.00 0.00 H new ATOM 0 HA ARG A 87 9.166 7.496 3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.963 6.659 4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.945 7.785 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.220 5.954 5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.358 4.846 4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.837 4.918 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.254 6.477 6.964 1.00 0.00 H new ATOM 0 HE ARG A 87 9.037 4.877 7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.424 4.609 8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.046 3.674 9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.568 3.679 9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.874 3.151 10.217 1.00 0.00 H new ATOM 1255 N GLN A 88 10.696 8.671 1.227 1.00 0.00 N ATOM 1256 CA GLN A 88 11.255 9.817 0.519 1.00 0.00 C ATOM 1257 C GLN A 88 10.866 9.786 -0.959 1.00 0.00 C ATOM 1258 O GLN A 88 10.721 8.715 -1.548 1.00 0.00 O ATOM 1259 CB GLN A 88 12.779 9.839 0.660 1.00 0.00 C ATOM 1260 CG GLN A 88 13.283 10.886 1.639 1.00 0.00 C ATOM 1261 CD GLN A 88 14.515 10.431 2.398 1.00 0.00 C ATOM 1262 OE1 GLN A 88 15.572 10.205 1.808 1.00 0.00 O ATOM 1263 NE2 GLN A 88 14.383 10.291 3.712 1.00 0.00 N ATOM 0 H GLN A 88 10.190 8.014 0.633 1.00 0.00 H new ATOM 0 HA GLN A 88 10.845 10.723 0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.120 8.856 0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.224 10.024 -0.318 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.513 11.803 1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.491 11.125 2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.488 10.490 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.177 9.985 4.275 1.00 0.00 H new ATOM 1272 N PRO A 89 10.693 10.967 -1.578 1.00 0.00 N ATOM 1273 CA PRO A 89 10.320 11.067 -2.992 1.00 0.00 C ATOM 1274 C PRO A 89 11.456 10.660 -3.923 1.00 0.00 C ATOM 1275 O PRO A 89 12.535 11.253 -3.899 1.00 0.00 O ATOM 1276 CB PRO A 89 9.991 12.552 -3.168 1.00 0.00 C ATOM 1277 CG PRO A 89 10.789 13.242 -2.116 1.00 0.00 C ATOM 1278 CD PRO A 89 10.846 12.293 -0.950 1.00 0.00 C ATOM 0 HA PRO A 89 9.495 10.400 -3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.261 12.902 -4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.924 12.739 -3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 89 11.790 13.477 -2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.324 14.185 -1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.790 12.375 -0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.050 12.491 -0.232 1.00 0.00 H new