USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 605 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 18 ASN : amide:sc= 0.0382 K(o=0.078,f=-6.2!) USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -12:sc= 1.05 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -46:sc= 0.37 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.54 USER MOD Single : A 57 THR OG1 : rot -79:sc= 1.16 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -163:sc= -1.35 (180deg=-2.6) USER MOD Single : A 72 ASN : amide:sc= 0.169 K(o=0.17,f=-3.5!) USER MOD Single : A 74 LYS NZ :NH3+ 159:sc= -0.298 (180deg=-1.16) USER MOD Single : A 75 SER OG : rot 25:sc= 0.00324 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -3.053 10.304 1.379 1.00 0.00 N ATOM 134 CA GLY A 10 -2.080 9.531 0.602 1.00 0.00 C ATOM 135 C GLY A 10 -1.791 8.114 1.123 1.00 0.00 C ATOM 136 O GLY A 10 -0.847 7.466 0.667 1.00 0.00 O ATOM 0 HA2 GLY A 10 -2.439 9.455 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.142 10.086 0.572 1.00 0.00 H new ATOM 140 N LYS A 11 -2.579 7.609 2.075 1.00 0.00 N ATOM 141 CA LYS A 11 -2.399 6.286 2.682 1.00 0.00 C ATOM 142 C LYS A 11 -3.216 5.253 1.900 1.00 0.00 C ATOM 143 O LYS A 11 -4.346 5.561 1.505 1.00 0.00 O ATOM 144 CB LYS A 11 -2.848 6.348 4.159 1.00 0.00 C ATOM 145 CG LYS A 11 -1.704 6.634 5.150 1.00 0.00 C ATOM 146 CD LYS A 11 -0.972 7.973 4.997 1.00 0.00 C ATOM 147 CE LYS A 11 -1.331 9.043 6.031 1.00 0.00 C ATOM 148 NZ LYS A 11 -0.503 8.893 7.244 1.00 0.00 N ATOM 0 H LYS A 11 -3.377 8.118 2.454 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.351 5.990 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.608 7.122 4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.318 5.401 4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.110 6.583 6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.969 5.834 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.101 7.788 5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.180 8.369 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.182 10.034 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.386 8.964 6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.761 9.628 7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.665 7.954 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.501 8.991 6.993 1.00 0.00 H new ATOM 162 N LEU A 12 -2.689 4.039 1.705 1.00 0.00 N ATOM 163 CA LEU A 12 -3.390 2.899 1.099 1.00 0.00 C ATOM 164 C LEU A 12 -3.344 1.676 2.025 1.00 0.00 C ATOM 165 O LEU A 12 -2.973 1.798 3.194 1.00 0.00 O ATOM 166 CB LEU A 12 -2.834 2.596 -0.308 1.00 0.00 C ATOM 167 CG LEU A 12 -3.236 3.601 -1.404 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.770 3.056 -2.756 1.00 0.00 C ATOM 169 CD2 LEU A 12 -4.753 3.812 -1.475 1.00 0.00 C ATOM 0 H LEU A 12 -1.731 3.815 1.973 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.440 3.162 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.746 2.561 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.170 1.603 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.771 4.557 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.046 3.755 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.687 2.931 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.244 2.092 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.984 4.529 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.243 2.863 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.112 4.195 -0.520 1.00 0.00 H new ATOM 181 N PHE A 13 -3.804 0.519 1.539 1.00 0.00 N ATOM 182 CA PHE A 13 -3.928 -0.748 2.247 1.00 0.00 C ATOM 183 C PHE A 13 -3.863 -1.888 1.224 1.00 0.00 C ATOM 184 O PHE A 13 -4.484 -1.771 0.165 1.00 0.00 O ATOM 185 CB PHE A 13 -5.300 -0.759 2.920 1.00 0.00 C ATOM 186 CG PHE A 13 -5.534 -1.945 3.826 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.085 -3.136 3.316 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.208 -1.852 5.190 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.295 -4.233 4.170 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.443 -2.939 6.046 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.981 -4.136 5.539 1.00 0.00 C ATOM 0 H PHE A 13 -4.120 0.444 0.572 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.133 -0.871 2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.415 0.156 3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.071 -0.747 2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.346 -3.207 2.270 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.776 -0.942 5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.699 -5.153 3.774 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.210 -2.856 7.097 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.152 -4.976 6.196 1.00 0.00 H new ATOM 201 N ILE A 14 -3.149 -2.981 1.520 1.00 0.00 N ATOM 202 CA ILE A 14 -2.892 -4.056 0.564 1.00 0.00 C ATOM 203 C ILE A 14 -3.085 -5.414 1.263 1.00 0.00 C ATOM 204 O ILE A 14 -2.729 -5.552 2.438 1.00 0.00 O ATOM 205 CB ILE A 14 -1.469 -3.894 -0.031 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.150 -2.482 -0.588 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.261 -4.880 -1.189 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.564 -1.503 0.431 1.00 0.00 C ATOM 0 H ILE A 14 -2.732 -3.142 2.437 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.598 -4.008 -0.265 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.804 -4.083 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.449 -2.584 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.065 -2.054 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.258 -4.755 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.380 -5.900 -0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.997 -4.686 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.375 -0.545 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.270 -1.363 1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.371 -1.902 0.823 1.00 0.00 H new ATOM 220 N GLY A 15 -3.620 -6.423 0.557 1.00 0.00 N ATOM 221 CA GLY A 15 -3.956 -7.727 1.136 1.00 0.00 C ATOM 222 C GLY A 15 -4.130 -8.854 0.112 1.00 0.00 C ATOM 223 O GLY A 15 -5.248 -9.293 -0.130 1.00 0.00 O ATOM 0 H GLY A 15 -3.832 -6.353 -0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.173 -8.010 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.878 -7.629 1.709 1.00 0.00 H new ATOM 227 N GLY A 16 -3.039 -9.354 -0.473 1.00 0.00 N ATOM 228 CA GLY A 16 -3.039 -10.577 -1.287 1.00 0.00 C ATOM 229 C GLY A 16 -1.733 -10.803 -2.060 1.00 0.00 C ATOM 230 O GLY A 16 -1.748 -11.385 -3.141 1.00 0.00 O ATOM 0 H GLY A 16 -2.120 -8.918 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.220 -11.434 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.867 -10.532 -1.995 1.00 0.00 H new ATOM 234 N LEU A 17 -0.619 -10.263 -1.558 1.00 0.00 N ATOM 235 CA LEU A 17 0.714 -10.306 -2.159 1.00 0.00 C ATOM 236 C LEU A 17 1.345 -11.696 -2.009 1.00 0.00 C ATOM 237 O LEU A 17 0.861 -12.523 -1.231 1.00 0.00 O ATOM 238 CB LEU A 17 1.619 -9.289 -1.445 1.00 0.00 C ATOM 239 CG LEU A 17 1.117 -7.840 -1.360 1.00 0.00 C ATOM 240 CD1 LEU A 17 2.123 -7.016 -0.555 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.914 -7.240 -2.749 1.00 0.00 C ATOM 0 H LEU A 17 -0.625 -9.757 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 17 0.617 -10.072 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.793 -9.646 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.585 -9.283 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 17 0.148 -7.827 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.777 -5.984 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.216 -7.434 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.094 -7.042 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.558 -6.214 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.860 -7.247 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.178 -7.830 -3.296 1.00 0.00 H new ATOM 253 N ASN A 18 2.476 -11.939 -2.685 1.00 0.00 N ATOM 254 CA ASN A 18 3.232 -13.178 -2.490 1.00 0.00 C ATOM 255 C ASN A 18 3.994 -13.169 -1.163 1.00 0.00 C ATOM 256 O ASN A 18 4.254 -12.110 -0.587 1.00 0.00 O ATOM 257 CB ASN A 18 4.207 -13.441 -3.649 1.00 0.00 C ATOM 258 CG ASN A 18 4.535 -14.921 -3.819 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.049 -15.770 -3.076 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.334 -15.261 -4.807 1.00 0.00 N ATOM 0 H ASN A 18 2.883 -11.298 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 18 2.501 -13.986 -2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.776 -13.060 -4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.129 -12.886 -3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.559 -16.243 -4.966 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.729 -14.543 -5.414 1.00 0.00 H new ATOM 267 N THR A 19 4.401 -14.346 -0.705 1.00 0.00 N ATOM 268 CA THR A 19 4.952 -14.602 0.614 1.00 0.00 C ATOM 269 C THR A 19 6.440 -14.262 0.732 1.00 0.00 C ATOM 270 O THR A 19 6.962 -14.275 1.840 1.00 0.00 O ATOM 271 CB THR A 19 4.686 -16.080 0.960 1.00 0.00 C ATOM 272 OG1 THR A 19 5.084 -16.934 -0.102 1.00 0.00 O ATOM 273 CG2 THR A 19 3.187 -16.311 1.163 1.00 0.00 C ATOM 0 H THR A 19 4.352 -15.190 -1.276 1.00 0.00 H new ATOM 0 HA THR A 19 4.458 -13.943 1.328 1.00 0.00 H new ATOM 0 HB THR A 19 5.253 -16.302 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.906 -17.866 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.010 -17.358 1.407 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.829 -15.683 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.652 -16.056 0.248 1.00 0.00 H new ATOM 281 N GLU A 20 7.136 -13.971 -0.367 1.00 0.00 N ATOM 282 CA GLU A 20 8.602 -13.966 -0.402 1.00 0.00 C ATOM 283 C GLU A 20 9.167 -12.624 -0.889 1.00 0.00 C ATOM 284 O GLU A 20 10.382 -12.446 -1.007 1.00 0.00 O ATOM 285 CB GLU A 20 9.029 -15.158 -1.272 1.00 0.00 C ATOM 286 CG GLU A 20 10.536 -15.456 -1.239 1.00 0.00 C ATOM 287 CD GLU A 20 11.232 -15.325 -2.597 1.00 0.00 C ATOM 288 OE1 GLU A 20 10.876 -14.446 -3.421 1.00 0.00 O ATOM 289 OE2 GLU A 20 12.148 -16.134 -2.855 1.00 0.00 O ATOM 0 H GLU A 20 6.702 -13.732 -1.258 1.00 0.00 H new ATOM 0 HA GLU A 20 9.015 -14.077 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.488 -16.045 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.731 -14.966 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.014 -14.778 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.687 -16.468 -0.862 1.00 0.00 H new ATOM 296 N THR A 21 8.307 -11.646 -1.168 1.00 0.00 N ATOM 297 CA THR A 21 8.728 -10.386 -1.746 1.00 0.00 C ATOM 298 C THR A 21 9.461 -9.549 -0.682 1.00 0.00 C ATOM 299 O THR A 21 9.501 -9.926 0.495 1.00 0.00 O ATOM 300 CB THR A 21 7.497 -9.735 -2.393 1.00 0.00 C ATOM 301 OG1 THR A 21 7.924 -8.877 -3.419 1.00 0.00 O ATOM 302 CG2 THR A 21 6.644 -8.973 -1.388 1.00 0.00 C ATOM 0 H THR A 21 7.303 -11.711 -0.998 1.00 0.00 H new ATOM 0 HA THR A 21 9.462 -10.503 -2.543 1.00 0.00 H new ATOM 0 HB THR A 21 6.868 -10.528 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.145 -8.457 -3.840 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.787 -8.533 -1.898 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.294 -9.657 -0.615 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.239 -8.183 -0.931 1.00 0.00 H new ATOM 310 N ASN A 22 10.024 -8.405 -1.076 1.00 0.00 N ATOM 311 CA ASN A 22 10.540 -7.411 -0.142 1.00 0.00 C ATOM 312 C ASN A 22 10.123 -6.023 -0.617 1.00 0.00 C ATOM 313 O ASN A 22 9.635 -5.863 -1.730 1.00 0.00 O ATOM 314 CB ASN A 22 12.070 -7.465 -0.005 1.00 0.00 C ATOM 315 CG ASN A 22 12.566 -8.721 0.686 1.00 0.00 C ATOM 316 OD1 ASN A 22 12.330 -8.922 1.874 1.00 0.00 O ATOM 317 ND2 ASN A 22 13.284 -9.573 -0.024 1.00 0.00 N ATOM 0 H ASN A 22 10.134 -8.144 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 22 10.121 -7.631 0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.519 -7.402 -0.996 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.409 -6.593 0.554 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.654 -10.417 0.414 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.468 -9.387 -1.010 1.00 0.00 H new ATOM 324 N GLU A 23 10.379 -5.006 0.199 1.00 0.00 N ATOM 325 CA GLU A 23 10.096 -3.590 -0.046 1.00 0.00 C ATOM 326 C GLU A 23 10.612 -3.163 -1.427 1.00 0.00 C ATOM 327 O GLU A 23 9.860 -2.587 -2.204 1.00 0.00 O ATOM 328 CB GLU A 23 10.726 -2.719 1.055 1.00 0.00 C ATOM 329 CG GLU A 23 10.356 -3.137 2.491 1.00 0.00 C ATOM 330 CD GLU A 23 11.298 -2.588 3.568 1.00 0.00 C ATOM 331 OE1 GLU A 23 12.379 -2.049 3.241 1.00 0.00 O ATOM 332 OE2 GLU A 23 11.029 -2.854 4.764 1.00 0.00 O ATOM 0 H GLU A 23 10.818 -5.155 1.108 1.00 0.00 H new ATOM 0 HA GLU A 23 9.015 -3.449 -0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.810 -2.750 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.420 -1.684 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.342 -2.800 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.350 -4.225 2.550 1.00 0.00 H new ATOM 339 N LYS A 24 11.849 -3.533 -1.787 1.00 0.00 N ATOM 340 CA LYS A 24 12.434 -3.212 -3.099 1.00 0.00 C ATOM 341 C LYS A 24 11.604 -3.710 -4.279 1.00 0.00 C ATOM 342 O LYS A 24 11.768 -3.225 -5.396 1.00 0.00 O ATOM 343 CB LYS A 24 13.884 -3.726 -3.195 1.00 0.00 C ATOM 344 CG LYS A 24 14.070 -5.254 -3.356 1.00 0.00 C ATOM 345 CD LYS A 24 14.009 -5.809 -4.794 1.00 0.00 C ATOM 346 CE LYS A 24 15.103 -5.245 -5.708 1.00 0.00 C ATOM 347 NZ LYS A 24 14.931 -5.694 -7.102 1.00 0.00 N ATOM 0 H LYS A 24 12.473 -4.063 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 24 12.435 -2.124 -3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.364 -3.234 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.417 -3.411 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.034 -5.527 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.303 -5.755 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.097 -6.895 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.033 -5.581 -5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.083 -4.156 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.081 -5.558 -5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.688 -5.293 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.975 -6.732 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.008 -5.373 -7.459 1.00 0.00 H new ATOM 361 N ALA A 25 10.791 -4.743 -4.063 1.00 0.00 N ATOM 362 CA ALA A 25 9.955 -5.355 -5.073 1.00 0.00 C ATOM 363 C ALA A 25 8.546 -4.771 -5.022 1.00 0.00 C ATOM 364 O ALA A 25 7.860 -4.779 -6.042 1.00 0.00 O ATOM 365 CB ALA A 25 9.950 -6.869 -4.854 1.00 0.00 C ATOM 0 H ALA A 25 10.699 -5.185 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 25 10.351 -5.146 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.323 -7.344 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.967 -7.252 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.556 -7.092 -3.863 1.00 0.00 H new ATOM 371 N LEU A 26 8.122 -4.233 -3.875 1.00 0.00 N ATOM 372 CA LEU A 26 6.900 -3.449 -3.726 1.00 0.00 C ATOM 373 C LEU A 26 7.047 -2.084 -4.379 1.00 0.00 C ATOM 374 O LEU A 26 6.076 -1.578 -4.947 1.00 0.00 O ATOM 375 CB LEU A 26 6.561 -3.249 -2.240 1.00 0.00 C ATOM 376 CG LEU A 26 5.657 -4.322 -1.625 1.00 0.00 C ATOM 377 CD1 LEU A 26 4.301 -4.360 -2.347 1.00 0.00 C ATOM 378 CD2 LEU A 26 6.260 -5.716 -1.626 1.00 0.00 C ATOM 0 H LEU A 26 8.637 -4.336 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 26 6.098 -4.001 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.492 -3.213 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.078 -2.279 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 26 5.532 -4.032 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.671 -5.128 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.813 -3.390 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.456 -4.589 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.558 -6.417 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.468 -6.022 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.187 -5.712 -1.053 1.00 0.00 H new ATOM 390 N GLU A 27 8.256 -1.522 -4.355 1.00 0.00 N ATOM 391 CA GLU A 27 8.596 -0.329 -5.111 1.00 0.00 C ATOM 392 C GLU A 27 8.224 -0.584 -6.575 1.00 0.00 C ATOM 393 O GLU A 27 7.564 0.232 -7.200 1.00 0.00 O ATOM 394 CB GLU A 27 10.095 -0.027 -5.000 1.00 0.00 C ATOM 395 CG GLU A 27 10.541 0.503 -3.630 1.00 0.00 C ATOM 396 CD GLU A 27 12.059 0.383 -3.441 1.00 0.00 C ATOM 397 OE1 GLU A 27 12.808 0.316 -4.448 1.00 0.00 O ATOM 398 OE2 GLU A 27 12.509 0.248 -2.281 1.00 0.00 O ATOM 0 H GLU A 27 9.030 -1.890 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 27 8.052 0.530 -4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.653 -0.937 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.362 0.705 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.243 1.547 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.031 -0.051 -2.842 1.00 0.00 H new ATOM 405 N ALA A 28 8.574 -1.753 -7.120 1.00 0.00 N ATOM 406 CA ALA A 28 8.268 -2.093 -8.505 1.00 0.00 C ATOM 407 C ALA A 28 6.780 -2.385 -8.740 1.00 0.00 C ATOM 408 O ALA A 28 6.304 -2.216 -9.866 1.00 0.00 O ATOM 409 CB ALA A 28 9.112 -3.291 -8.932 1.00 0.00 C ATOM 0 H ALA A 28 9.074 -2.484 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 28 8.511 -1.221 -9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.884 -3.546 -9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.169 -3.041 -8.844 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.886 -4.143 -8.290 1.00 0.00 H new ATOM 415 N VAL A 29 6.032 -2.820 -7.719 1.00 0.00 N ATOM 416 CA VAL A 29 4.587 -3.010 -7.824 1.00 0.00 C ATOM 417 C VAL A 29 3.935 -1.654 -8.098 1.00 0.00 C ATOM 418 O VAL A 29 3.279 -1.497 -9.132 1.00 0.00 O ATOM 419 CB VAL A 29 4.015 -3.731 -6.579 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.487 -3.767 -6.548 1.00 0.00 C ATOM 421 CG2 VAL A 29 4.474 -5.192 -6.529 1.00 0.00 C ATOM 0 H VAL A 29 6.413 -3.049 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 29 4.355 -3.671 -8.659 1.00 0.00 H new ATOM 0 HB VAL A 29 4.388 -3.155 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.153 -4.286 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.099 -2.748 -6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.117 -4.292 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.058 -5.674 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.129 -5.713 -7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.562 -5.230 -6.484 1.00 0.00 H new ATOM 431 N PHE A 30 4.093 -0.692 -7.187 1.00 0.00 N ATOM 432 CA PHE A 30 3.303 0.534 -7.184 1.00 0.00 C ATOM 433 C PHE A 30 4.062 1.725 -7.773 1.00 0.00 C ATOM 434 O PHE A 30 3.443 2.746 -8.071 1.00 0.00 O ATOM 435 CB PHE A 30 2.854 0.832 -5.747 1.00 0.00 C ATOM 436 CG PHE A 30 1.871 -0.157 -5.152 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.525 -0.137 -5.562 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.285 -1.078 -4.169 1.00 0.00 C ATOM 439 CE1 PHE A 30 -0.402 -1.029 -5.000 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.355 -1.971 -3.604 1.00 0.00 C ATOM 441 CZ PHE A 30 0.012 -1.948 -4.021 1.00 0.00 C ATOM 0 H PHE A 30 4.775 -0.744 -6.430 1.00 0.00 H new ATOM 0 HA PHE A 30 2.434 0.380 -7.824 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.737 0.868 -5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.403 1.824 -5.724 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.203 0.569 -6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.316 -1.099 -3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.433 -1.009 -5.320 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.673 -2.675 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.700 -2.636 -3.589 1.00 0.00 H new ATOM 451 N GLY A 31 5.377 1.646 -7.973 1.00 0.00 N ATOM 452 CA GLY A 31 6.264 2.739 -8.377 1.00 0.00 C ATOM 453 C GLY A 31 6.197 3.007 -9.871 1.00 0.00 C ATOM 454 O GLY A 31 7.212 3.149 -10.548 1.00 0.00 O ATOM 0 H GLY A 31 5.882 0.768 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.993 3.645 -7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.289 2.495 -8.099 1.00 0.00 H new ATOM 458 N LYS A 32 4.976 3.043 -10.390 1.00 0.00 N ATOM 459 CA LYS A 32 4.605 3.519 -11.712 1.00 0.00 C ATOM 460 C LYS A 32 3.663 4.713 -11.585 1.00 0.00 C ATOM 461 O LYS A 32 3.653 5.569 -12.464 1.00 0.00 O ATOM 462 CB LYS A 32 4.011 2.358 -12.527 1.00 0.00 C ATOM 463 CG LYS A 32 2.733 1.747 -11.918 1.00 0.00 C ATOM 464 CD LYS A 32 2.722 0.214 -11.932 1.00 0.00 C ATOM 465 CE LYS A 32 2.608 -0.357 -13.348 1.00 0.00 C ATOM 466 NZ LYS A 32 2.584 -1.836 -13.336 1.00 0.00 N ATOM 0 H LYS A 32 4.166 2.718 -9.861 1.00 0.00 H new ATOM 0 HA LYS A 32 5.482 3.871 -12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.787 2.712 -13.533 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.763 1.575 -12.625 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.628 2.094 -10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.866 2.114 -12.468 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.635 -0.157 -11.466 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.888 -0.146 -11.330 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.701 0.019 -13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.448 -0.011 -13.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.506 -2.190 -14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.461 -2.194 -12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.768 -2.165 -12.782 1.00 0.00 H new ATOM 480 N TYR A 33 2.908 4.804 -10.485 1.00 0.00 N ATOM 481 CA TYR A 33 1.955 5.884 -10.271 1.00 0.00 C ATOM 482 C TYR A 33 2.656 7.140 -9.758 1.00 0.00 C ATOM 483 O TYR A 33 2.230 8.246 -10.096 1.00 0.00 O ATOM 484 CB TYR A 33 0.834 5.394 -9.343 1.00 0.00 C ATOM 485 CG TYR A 33 0.174 4.149 -9.906 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.563 4.245 -11.102 1.00 0.00 C ATOM 487 CD2 TYR A 33 0.408 2.885 -9.328 1.00 0.00 C ATOM 488 CE1 TYR A 33 -1.037 3.088 -11.738 1.00 0.00 C ATOM 489 CE2 TYR A 33 -0.074 1.724 -9.956 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.785 1.818 -11.174 1.00 0.00 C ATOM 491 OH TYR A 33 -1.185 0.684 -11.810 1.00 0.00 O ATOM 0 H TYR A 33 2.945 4.128 -9.722 1.00 0.00 H new ATOM 0 HA TYR A 33 1.497 6.169 -11.218 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.241 5.180 -8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.090 6.180 -9.217 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.764 5.215 -11.532 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.958 2.809 -8.402 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.595 3.168 -12.659 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.099 0.757 -9.507 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.793 0.917 -12.542 1.00 0.00 H new ATOM 501 N GLY A 34 3.746 7.004 -9.001 1.00 0.00 N ATOM 502 CA GLY A 34 4.461 8.126 -8.426 1.00 0.00 C ATOM 503 C GLY A 34 5.443 7.720 -7.328 1.00 0.00 C ATOM 504 O GLY A 34 6.040 6.638 -7.378 1.00 0.00 O ATOM 0 H GLY A 34 4.155 6.098 -8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.004 8.645 -9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.741 8.835 -8.016 1.00 0.00 H new ATOM 508 N ARG A 35 5.678 8.633 -6.387 1.00 0.00 N ATOM 509 CA ARG A 35 6.786 8.652 -5.436 1.00 0.00 C ATOM 510 C ARG A 35 6.341 8.016 -4.129 1.00 0.00 C ATOM 511 O ARG A 35 5.499 8.567 -3.417 1.00 0.00 O ATOM 512 CB ARG A 35 7.221 10.113 -5.224 1.00 0.00 C ATOM 513 CG ARG A 35 7.914 10.694 -6.469 1.00 0.00 C ATOM 514 CD ARG A 35 9.414 10.371 -6.477 1.00 0.00 C ATOM 515 NE ARG A 35 10.020 10.487 -7.815 1.00 0.00 N ATOM 516 CZ ARG A 35 10.029 11.525 -8.659 1.00 0.00 C ATOM 517 NH1 ARG A 35 9.591 12.729 -8.311 1.00 0.00 N ATOM 518 NH2 ARG A 35 10.491 11.335 -9.889 1.00 0.00 N ATOM 0 H ARG A 35 5.057 9.432 -6.261 1.00 0.00 H new ATOM 0 HA ARG A 35 7.633 8.082 -5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.349 10.719 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.899 10.170 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.449 10.290 -7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.773 11.775 -6.495 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.929 11.044 -5.791 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.564 9.358 -6.103 1.00 0.00 H new ATOM 0 HE ARG A 35 10.504 9.653 -8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.231 12.888 -7.370 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.615 13.495 -8.984 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.828 10.414 -10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.509 12.110 -10.552 1.00 0.00 H new ATOM 532 N ILE A 36 6.871 6.837 -3.826 1.00 0.00 N ATOM 533 CA ILE A 36 6.520 6.083 -2.633 1.00 0.00 C ATOM 534 C ILE A 36 7.496 6.463 -1.529 1.00 0.00 C ATOM 535 O ILE A 36 8.705 6.517 -1.757 1.00 0.00 O ATOM 536 CB ILE A 36 6.578 4.571 -2.947 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.608 4.201 -4.091 1.00 0.00 C ATOM 538 CG2 ILE A 36 6.248 3.739 -1.700 1.00 0.00 C ATOM 539 CD1 ILE A 36 5.826 2.791 -4.647 1.00 0.00 C ATOM 0 H ILE A 36 7.566 6.373 -4.411 1.00 0.00 H new ATOM 0 HA ILE A 36 5.507 6.315 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 36 7.595 4.343 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.583 4.285 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.721 4.923 -4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.296 2.678 -1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.969 3.961 -0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.245 3.986 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.110 2.600 -5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.839 2.707 -5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.684 2.060 -3.851 1.00 0.00 H new ATOM 551 N VAL A 37 6.970 6.686 -0.328 1.00 0.00 N ATOM 552 CA VAL A 37 7.693 7.308 0.768 1.00 0.00 C ATOM 553 C VAL A 37 7.465 6.602 2.120 1.00 0.00 C ATOM 554 O VAL A 37 7.915 7.085 3.158 1.00 0.00 O ATOM 555 CB VAL A 37 7.312 8.792 0.701 1.00 0.00 C ATOM 556 CG1 VAL A 37 5.905 9.085 1.242 1.00 0.00 C ATOM 557 CG2 VAL A 37 8.345 9.705 1.336 1.00 0.00 C ATOM 0 H VAL A 37 6.011 6.433 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 37 8.774 7.209 0.673 1.00 0.00 H new ATOM 0 HB VAL A 37 7.295 9.021 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.701 10.153 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.169 8.532 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.846 8.779 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.014 10.740 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.464 9.444 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.299 9.587 0.822 1.00 0.00 H new ATOM 567 N GLU A 38 6.769 5.464 2.126 1.00 0.00 N ATOM 568 CA GLU A 38 6.855 4.428 3.148 1.00 0.00 C ATOM 569 C GLU A 38 6.474 3.105 2.472 1.00 0.00 C ATOM 570 O GLU A 38 5.593 3.088 1.606 1.00 0.00 O ATOM 571 CB GLU A 38 5.905 4.750 4.315 1.00 0.00 C ATOM 572 CG GLU A 38 6.552 4.666 5.696 1.00 0.00 C ATOM 573 CD GLU A 38 6.721 3.232 6.204 1.00 0.00 C ATOM 574 OE1 GLU A 38 7.548 2.501 5.613 1.00 0.00 O ATOM 575 OE2 GLU A 38 6.075 2.848 7.210 1.00 0.00 O ATOM 0 H GLU A 38 6.104 5.233 1.388 1.00 0.00 H new ATOM 0 HA GLU A 38 7.860 4.366 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.504 5.754 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.060 4.062 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.529 5.148 5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.945 5.226 6.408 1.00 0.00 H new ATOM 582 N VAL A 39 7.108 2.008 2.881 1.00 0.00 N ATOM 583 CA VAL A 39 6.885 0.646 2.438 1.00 0.00 C ATOM 584 C VAL A 39 6.988 -0.224 3.700 1.00 0.00 C ATOM 585 O VAL A 39 8.092 -0.554 4.151 1.00 0.00 O ATOM 586 CB VAL A 39 7.881 0.234 1.322 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.424 -1.105 0.750 1.00 0.00 C ATOM 588 CG2 VAL A 39 7.942 1.230 0.153 1.00 0.00 C ATOM 0 H VAL A 39 7.845 2.059 3.584 1.00 0.00 H new ATOM 0 HA VAL A 39 5.906 0.524 1.975 1.00 0.00 H new ATOM 0 HB VAL A 39 8.870 0.194 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.109 -1.417 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.415 -1.855 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.420 -1.001 0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.658 0.877 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.957 1.314 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.254 2.207 0.523 1.00 0.00 H new ATOM 598 N LEU A 40 5.840 -0.568 4.289 1.00 0.00 N ATOM 599 CA LEU A 40 5.721 -1.353 5.511 1.00 0.00 C ATOM 600 C LEU A 40 5.247 -2.760 5.138 1.00 0.00 C ATOM 601 O LEU A 40 4.122 -2.934 4.664 1.00 0.00 O ATOM 602 CB LEU A 40 4.757 -0.658 6.473 1.00 0.00 C ATOM 603 CG LEU A 40 4.782 -1.282 7.880 1.00 0.00 C ATOM 604 CD1 LEU A 40 5.951 -0.715 8.680 1.00 0.00 C ATOM 605 CD2 LEU A 40 3.484 -0.994 8.642 1.00 0.00 C ATOM 0 H LEU A 40 4.934 -0.294 3.909 1.00 0.00 H new ATOM 0 HA LEU A 40 6.682 -1.436 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.016 0.399 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.745 -0.713 6.072 1.00 0.00 H new ATOM 0 HG LEU A 40 4.890 -2.360 7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.962 -1.161 9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.886 -0.944 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.841 0.366 8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.534 -1.449 9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.353 0.083 8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.640 -1.412 8.093 1.00 0.00 H new ATOM 617 N LEU A 41 6.113 -3.762 5.245 1.00 0.00 N ATOM 618 CA LEU A 41 5.891 -5.121 4.768 1.00 0.00 C ATOM 619 C LEU A 41 5.720 -6.041 5.971 1.00 0.00 C ATOM 620 O LEU A 41 6.702 -6.363 6.645 1.00 0.00 O ATOM 621 CB LEU A 41 7.074 -5.546 3.886 1.00 0.00 C ATOM 622 CG LEU A 41 6.913 -6.962 3.305 1.00 0.00 C ATOM 623 CD1 LEU A 41 5.728 -7.070 2.338 1.00 0.00 C ATOM 624 CD2 LEU A 41 8.185 -7.312 2.542 1.00 0.00 C ATOM 0 H LEU A 41 7.026 -3.644 5.684 1.00 0.00 H new ATOM 0 HA LEU A 41 4.986 -5.179 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.184 -4.834 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.992 -5.502 4.473 1.00 0.00 H new ATOM 0 HG LEU A 41 6.730 -7.645 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.660 -8.089 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.806 -6.816 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.874 -6.381 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.093 -8.313 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.336 -6.592 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.037 -7.281 3.221 1.00 0.00 H new ATOM 636 N MET A 42 4.482 -6.444 6.255 1.00 0.00 N ATOM 637 CA MET A 42 4.183 -7.277 7.416 1.00 0.00 C ATOM 638 C MET A 42 4.639 -8.713 7.128 1.00 0.00 C ATOM 639 O MET A 42 4.722 -9.133 5.966 1.00 0.00 O ATOM 640 CB MET A 42 2.685 -7.237 7.776 1.00 0.00 C ATOM 641 CG MET A 42 2.005 -5.866 7.663 1.00 0.00 C ATOM 642 SD MET A 42 2.918 -4.390 8.165 1.00 0.00 S ATOM 643 CE MET A 42 3.156 -4.726 9.925 1.00 0.00 C ATOM 0 H MET A 42 3.666 -6.204 5.692 1.00 0.00 H new ATOM 0 HA MET A 42 4.724 -6.886 8.278 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.157 -7.937 7.129 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.567 -7.596 8.798 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.708 -5.731 6.623 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.090 -5.903 8.254 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.707 -3.903 10.381 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.185 -4.826 10.411 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.720 -5.651 10.046 1.00 0.00 H new ATOM 653 N LYS A 43 4.912 -9.497 8.171 1.00 0.00 N ATOM 654 CA LYS A 43 5.513 -10.825 8.071 1.00 0.00 C ATOM 655 C LYS A 43 4.873 -11.767 9.068 1.00 0.00 C ATOM 656 O LYS A 43 4.271 -11.351 10.057 1.00 0.00 O ATOM 657 CB LYS A 43 7.030 -10.759 8.326 1.00 0.00 C ATOM 658 CG LYS A 43 7.800 -10.142 7.153 1.00 0.00 C ATOM 659 CD LYS A 43 9.263 -9.935 7.552 1.00 0.00 C ATOM 660 CE LYS A 43 10.074 -9.294 6.424 1.00 0.00 C ATOM 661 NZ LYS A 43 11.469 -9.059 6.848 1.00 0.00 N ATOM 0 H LYS A 43 4.716 -9.218 9.132 1.00 0.00 H new ATOM 0 HA LYS A 43 5.342 -11.198 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.218 -10.174 9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.407 -11.764 8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.739 -10.794 6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.351 -9.190 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.312 -9.304 8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.706 -10.894 7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.060 -9.941 5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.614 -8.350 6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.000 -8.624 6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.479 -8.423 7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.911 -9.965 7.105 1.00 0.00 H new ATOM 675 N ASP A 44 5.041 -13.054 8.815 1.00 0.00 N ATOM 676 CA ASP A 44 4.746 -14.124 9.755 1.00 0.00 C ATOM 677 C ASP A 44 5.723 -14.070 10.930 1.00 0.00 C ATOM 678 O ASP A 44 6.752 -13.393 10.876 1.00 0.00 O ATOM 679 CB ASP A 44 4.813 -15.508 9.082 1.00 0.00 C ATOM 680 CG ASP A 44 3.715 -16.404 9.668 1.00 0.00 C ATOM 681 OD1 ASP A 44 3.829 -16.777 10.860 1.00 0.00 O ATOM 682 OD2 ASP A 44 2.740 -16.701 8.944 1.00 0.00 O ATOM 0 H ASP A 44 5.398 -13.394 7.922 1.00 0.00 H new ATOM 0 HA ASP A 44 3.728 -13.977 10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.682 -15.409 8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.792 -15.958 9.244 1.00 0.00 H new ATOM 687 N ARG A 45 5.428 -14.851 11.965 1.00 0.00 N ATOM 688 CA ARG A 45 6.361 -15.224 13.016 1.00 0.00 C ATOM 689 C ARG A 45 6.817 -16.683 12.881 1.00 0.00 C ATOM 690 O ARG A 45 7.519 -17.175 13.753 1.00 0.00 O ATOM 691 CB ARG A 45 5.792 -14.890 14.403 1.00 0.00 C ATOM 692 CG ARG A 45 4.464 -15.563 14.780 1.00 0.00 C ATOM 693 CD ARG A 45 3.216 -14.805 14.293 1.00 0.00 C ATOM 694 NE ARG A 45 2.374 -14.336 15.412 1.00 0.00 N ATOM 695 CZ ARG A 45 1.528 -13.297 15.380 1.00 0.00 C ATOM 696 NH1 ARG A 45 1.386 -12.567 14.283 1.00 0.00 N ATOM 697 NH2 ARG A 45 0.811 -12.963 16.441 1.00 0.00 N ATOM 0 H ARG A 45 4.500 -15.254 12.097 1.00 0.00 H new ATOM 0 HA ARG A 45 7.263 -14.623 12.900 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.536 -15.162 15.151 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.657 -13.810 14.465 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.449 -16.571 14.365 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.415 -15.664 15.864 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.524 -13.951 13.690 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.628 -15.456 13.646 1.00 0.00 H new ATOM 0 HE ARG A 45 2.443 -14.850 16.290 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.925 -12.793 13.447 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.738 -11.779 14.275 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.897 -13.500 17.304 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.173 -12.169 16.396 1.00 0.00 H new ATOM 711 N GLU A 46 6.416 -17.381 11.821 1.00 0.00 N ATOM 712 CA GLU A 46 6.948 -18.683 11.440 1.00 0.00 C ATOM 713 C GLU A 46 8.379 -18.481 10.920 1.00 0.00 C ATOM 714 O GLU A 46 9.352 -18.622 11.654 1.00 0.00 O ATOM 715 CB GLU A 46 5.999 -19.321 10.398 1.00 0.00 C ATOM 716 CG GLU A 46 6.405 -20.725 9.948 1.00 0.00 C ATOM 717 CD GLU A 46 6.436 -21.745 11.086 1.00 0.00 C ATOM 718 OE1 GLU A 46 5.374 -22.319 11.412 1.00 0.00 O ATOM 719 OE2 GLU A 46 7.537 -22.024 11.606 1.00 0.00 O ATOM 0 H GLU A 46 5.691 -17.045 11.187 1.00 0.00 H new ATOM 0 HA GLU A 46 7.001 -19.371 12.283 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.994 -19.364 10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.951 -18.672 9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.709 -21.068 9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.391 -20.679 9.485 1.00 0.00 H new ATOM 726 N THR A 47 8.518 -18.090 9.653 1.00 0.00 N ATOM 727 CA THR A 47 9.768 -18.196 8.907 1.00 0.00 C ATOM 728 C THR A 47 10.056 -16.893 8.165 1.00 0.00 C ATOM 729 O THR A 47 10.657 -16.905 7.100 1.00 0.00 O ATOM 730 CB THR A 47 9.686 -19.443 7.994 1.00 0.00 C ATOM 731 OG1 THR A 47 10.910 -19.709 7.334 1.00 0.00 O ATOM 732 CG2 THR A 47 8.583 -19.337 6.960 1.00 0.00 C ATOM 0 H THR A 47 7.755 -17.686 9.111 1.00 0.00 H new ATOM 0 HA THR A 47 10.619 -18.338 9.574 1.00 0.00 H new ATOM 0 HB THR A 47 9.458 -20.270 8.666 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.268 -18.877 6.961 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.571 -20.238 6.347 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.622 -19.227 7.463 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.762 -18.469 6.325 1.00 0.00 H new ATOM 740 N ASN A 48 9.572 -15.767 8.689 1.00 0.00 N ATOM 741 CA ASN A 48 9.748 -14.421 8.127 1.00 0.00 C ATOM 742 C ASN A 48 9.063 -14.241 6.765 1.00 0.00 C ATOM 743 O ASN A 48 9.201 -13.170 6.166 1.00 0.00 O ATOM 744 CB ASN A 48 11.232 -14.028 7.978 1.00 0.00 C ATOM 745 CG ASN A 48 12.121 -14.259 9.187 1.00 0.00 C ATOM 746 OD1 ASN A 48 11.663 -14.444 10.316 1.00 0.00 O ATOM 747 ND2 ASN A 48 13.418 -14.281 8.959 1.00 0.00 N ATOM 0 H ASN A 48 9.025 -15.764 9.550 1.00 0.00 H new ATOM 0 HA ASN A 48 9.270 -13.764 8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.649 -14.583 7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.280 -12.971 7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.068 -14.454 9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.773 -14.125 8.015 1.00 0.00 H new ATOM 754 N LYS A 49 8.315 -15.241 6.273 1.00 0.00 N ATOM 755 CA LYS A 49 7.522 -15.102 5.056 1.00 0.00 C ATOM 756 C LYS A 49 6.540 -13.969 5.286 1.00 0.00 C ATOM 757 O LYS A 49 6.040 -13.805 6.395 1.00 0.00 O ATOM 758 CB LYS A 49 6.750 -16.397 4.756 1.00 0.00 C ATOM 759 CG LYS A 49 7.585 -17.441 4.008 1.00 0.00 C ATOM 760 CD LYS A 49 6.944 -18.834 4.125 1.00 0.00 C ATOM 761 CE LYS A 49 7.797 -19.838 3.337 1.00 0.00 C ATOM 762 NZ LYS A 49 7.208 -21.192 3.309 1.00 0.00 N ATOM 0 H LYS A 49 8.247 -16.161 6.709 1.00 0.00 H new ATOM 0 HA LYS A 49 8.173 -14.897 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.398 -16.827 5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.867 -16.156 4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.670 -17.161 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.596 -17.465 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.879 -19.133 5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.926 -18.815 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.921 -19.479 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.792 -19.889 3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.825 -21.828 2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.114 -21.550 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.270 -21.153 2.862 1.00 0.00 H new ATOM 776 N SER A 50 6.206 -13.207 4.260 1.00 0.00 N ATOM 777 CA SER A 50 5.041 -12.351 4.301 1.00 0.00 C ATOM 778 C SER A 50 3.788 -13.221 4.456 1.00 0.00 C ATOM 779 O SER A 50 3.759 -14.398 4.079 1.00 0.00 O ATOM 780 CB SER A 50 5.035 -11.498 3.042 1.00 0.00 C ATOM 781 OG SER A 50 3.902 -10.662 2.984 1.00 0.00 O ATOM 0 H SER A 50 6.730 -13.166 3.386 1.00 0.00 H new ATOM 0 HA SER A 50 5.059 -11.674 5.155 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.938 -10.889 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.056 -12.144 2.164 1.00 0.00 H new ATOM 0 HG SER A 50 3.932 -10.127 2.163 1.00 0.00 H new ATOM 787 N ARG A 51 2.727 -12.611 4.979 1.00 0.00 N ATOM 788 CA ARG A 51 1.368 -13.139 5.037 1.00 0.00 C ATOM 789 C ARG A 51 0.517 -12.484 3.943 1.00 0.00 C ATOM 790 O ARG A 51 -0.710 -12.617 3.935 1.00 0.00 O ATOM 791 CB ARG A 51 0.792 -12.885 6.434 1.00 0.00 C ATOM 792 CG ARG A 51 1.587 -13.585 7.544 1.00 0.00 C ATOM 793 CD ARG A 51 1.074 -13.183 8.925 1.00 0.00 C ATOM 794 NE ARG A 51 -0.311 -13.603 9.165 1.00 0.00 N ATOM 795 CZ ARG A 51 -0.863 -13.850 10.355 1.00 0.00 C ATOM 796 NH1 ARG A 51 -0.168 -13.684 11.474 1.00 0.00 N ATOM 797 NH2 ARG A 51 -2.123 -14.254 10.405 1.00 0.00 N ATOM 0 H ARG A 51 2.798 -11.683 5.397 1.00 0.00 H new ATOM 0 HA ARG A 51 1.368 -14.214 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.777 -11.812 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.242 -13.228 6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.510 -14.666 7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.643 -13.329 7.456 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.718 -13.621 9.688 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.144 -12.100 9.032 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.908 -13.717 8.346 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.800 -13.364 11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.602 -13.876 12.377 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.655 -14.372 9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.561 -14.447 11.306 1.00 0.00 H new ATOM 811 N GLY A 52 1.143 -11.768 3.008 1.00 0.00 N ATOM 812 CA GLY A 52 0.506 -11.228 1.824 1.00 0.00 C ATOM 813 C GLY A 52 -0.196 -9.893 2.064 1.00 0.00 C ATOM 814 O GLY A 52 -0.766 -9.356 1.119 1.00 0.00 O ATOM 0 H GLY A 52 2.137 -11.546 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.257 -11.100 1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.221 -11.950 1.451 1.00 0.00 H new ATOM 818 N PHE A 53 -0.175 -9.324 3.271 1.00 0.00 N ATOM 819 CA PHE A 53 -0.815 -8.048 3.558 1.00 0.00 C ATOM 820 C PHE A 53 0.256 -7.061 3.987 1.00 0.00 C ATOM 821 O PHE A 53 1.193 -7.416 4.707 1.00 0.00 O ATOM 822 CB PHE A 53 -1.945 -8.202 4.582 1.00 0.00 C ATOM 823 CG PHE A 53 -1.502 -8.301 6.031 1.00 0.00 C ATOM 824 CD1 PHE A 53 -1.065 -9.520 6.582 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.505 -7.143 6.828 1.00 0.00 C ATOM 826 CE1 PHE A 53 -0.620 -9.570 7.917 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.073 -7.197 8.161 1.00 0.00 C ATOM 828 CZ PHE A 53 -0.619 -8.406 8.703 1.00 0.00 C ATOM 0 H PHE A 53 0.290 -9.741 4.078 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.300 -7.660 2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.620 -7.352 4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.519 -9.095 4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.071 -10.417 5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.842 -6.206 6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.279 -10.505 8.337 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.090 -6.305 8.770 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.269 -8.443 9.724 1.00 0.00 H new ATOM 838 N ALA A 54 0.151 -5.842 3.480 1.00 0.00 N ATOM 839 CA ALA A 54 1.146 -4.805 3.688 1.00 0.00 C ATOM 840 C ALA A 54 0.541 -3.405 3.553 1.00 0.00 C ATOM 841 O ALA A 54 -0.630 -3.248 3.193 1.00 0.00 O ATOM 842 CB ALA A 54 2.259 -5.052 2.672 1.00 0.00 C ATOM 0 H ALA A 54 -0.637 -5.543 2.906 1.00 0.00 H new ATOM 0 HA ALA A 54 1.543 -4.849 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.034 -4.294 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.689 -6.040 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.849 -4.998 1.663 1.00 0.00 H new ATOM 848 N PHE A 55 1.354 -2.385 3.831 1.00 0.00 N ATOM 849 CA PHE A 55 0.998 -0.975 3.803 1.00 0.00 C ATOM 850 C PHE A 55 2.036 -0.229 2.955 1.00 0.00 C ATOM 851 O PHE A 55 3.225 -0.551 3.000 1.00 0.00 O ATOM 852 CB PHE A 55 0.906 -0.473 5.256 1.00 0.00 C ATOM 853 CG PHE A 55 0.886 1.032 5.415 1.00 0.00 C ATOM 854 CD1 PHE A 55 -0.091 1.794 4.752 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.858 1.680 6.198 1.00 0.00 C ATOM 856 CE1 PHE A 55 -0.110 3.191 4.892 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.818 3.072 6.364 1.00 0.00 C ATOM 858 CZ PHE A 55 0.815 3.823 5.739 1.00 0.00 C ATOM 0 H PHE A 55 2.328 -2.533 4.095 1.00 0.00 H new ATOM 0 HA PHE A 55 0.027 -0.798 3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.003 -0.883 5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.752 -0.871 5.816 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.829 1.304 4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.638 1.104 6.673 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.835 3.779 4.349 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.561 3.565 6.974 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.753 4.888 5.908 1.00 0.00 H new ATOM 868 N VAL A 56 1.593 0.731 2.144 1.00 0.00 N ATOM 869 CA VAL A 56 2.437 1.559 1.290 1.00 0.00 C ATOM 870 C VAL A 56 1.863 2.967 1.379 1.00 0.00 C ATOM 871 O VAL A 56 0.639 3.144 1.474 1.00 0.00 O ATOM 872 CB VAL A 56 2.455 1.034 -0.166 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.406 1.824 -1.074 1.00 0.00 C ATOM 874 CG2 VAL A 56 2.907 -0.428 -0.244 1.00 0.00 C ATOM 0 H VAL A 56 0.602 0.960 2.062 1.00 0.00 H new ATOM 0 HA VAL A 56 3.477 1.540 1.617 1.00 0.00 H new ATOM 0 HB VAL A 56 1.425 1.148 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.375 1.409 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.098 2.869 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.422 1.756 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.905 -0.755 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.914 -0.520 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.224 -1.051 0.334 1.00 0.00 H new ATOM 884 N THR A 57 2.747 3.955 1.318 1.00 0.00 N ATOM 885 CA THR A 57 2.401 5.348 1.493 1.00 0.00 C ATOM 886 C THR A 57 3.060 6.152 0.392 1.00 0.00 C ATOM 887 O THR A 57 4.225 5.921 0.059 1.00 0.00 O ATOM 888 CB THR A 57 2.897 5.833 2.855 1.00 0.00 C ATOM 889 OG1 THR A 57 2.715 4.862 3.851 1.00 0.00 O ATOM 890 CG2 THR A 57 2.073 7.024 3.321 1.00 0.00 C ATOM 0 H THR A 57 3.740 3.801 1.142 1.00 0.00 H new ATOM 0 HA THR A 57 1.319 5.473 1.446 1.00 0.00 H new ATOM 0 HB THR A 57 3.952 6.073 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.779 4.862 4.141 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.436 7.360 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.165 7.835 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.027 6.731 3.406 1.00 0.00 H new ATOM 898 N PHE A 58 2.329 7.120 -0.150 1.00 0.00 N ATOM 899 CA PHE A 58 2.760 7.845 -1.323 1.00 0.00 C ATOM 900 C PHE A 58 2.861 9.304 -0.956 1.00 0.00 C ATOM 901 O PHE A 58 2.053 9.825 -0.183 1.00 0.00 O ATOM 902 CB PHE A 58 1.810 7.630 -2.501 1.00 0.00 C ATOM 903 CG PHE A 58 1.498 6.182 -2.829 1.00 0.00 C ATOM 904 CD1 PHE A 58 0.741 5.382 -1.947 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.021 5.611 -4.000 1.00 0.00 C ATOM 906 CE1 PHE A 58 0.614 4.004 -2.179 1.00 0.00 C ATOM 907 CE2 PHE A 58 1.823 4.249 -4.268 1.00 0.00 C ATOM 908 CZ PHE A 58 1.145 3.435 -3.347 1.00 0.00 C ATOM 0 H PHE A 58 1.425 7.418 0.216 1.00 0.00 H new ATOM 0 HA PHE A 58 3.732 7.474 -1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.874 8.147 -2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.242 8.100 -3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.258 5.831 -1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.577 6.222 -4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.107 3.380 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.194 3.824 -5.189 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.033 2.378 -3.536 1.00 0.00 H new ATOM 918 N GLU A 59 3.904 9.943 -1.463 1.00 0.00 N ATOM 919 CA GLU A 59 4.268 11.275 -1.067 1.00 0.00 C ATOM 920 C GLU A 59 3.220 12.281 -1.538 1.00 0.00 C ATOM 921 O GLU A 59 2.679 13.011 -0.704 1.00 0.00 O ATOM 922 CB GLU A 59 5.695 11.537 -1.540 1.00 0.00 C ATOM 923 CG GLU A 59 6.251 12.697 -0.692 1.00 0.00 C ATOM 924 CD GLU A 59 7.691 13.095 -1.003 1.00 0.00 C ATOM 925 OE1 GLU A 59 8.292 12.571 -1.964 1.00 0.00 O ATOM 926 OE2 GLU A 59 8.192 14.013 -0.311 1.00 0.00 O ATOM 0 H GLU A 59 4.521 9.539 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 59 4.273 11.392 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.310 10.645 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.708 11.794 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.611 13.568 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.186 12.421 0.360 1.00 0.00 H new ATOM 933 N SER A 60 2.870 12.272 -2.827 1.00 0.00 N ATOM 934 CA SER A 60 1.751 13.066 -3.313 1.00 0.00 C ATOM 935 C SER A 60 0.461 12.234 -3.212 1.00 0.00 C ATOM 936 O SER A 60 0.471 11.042 -3.523 1.00 0.00 O ATOM 937 CB SER A 60 2.021 13.483 -4.763 1.00 0.00 C ATOM 938 OG SER A 60 3.231 14.213 -4.860 1.00 0.00 O ATOM 0 H SER A 60 3.345 11.725 -3.545 1.00 0.00 H new ATOM 0 HA SER A 60 1.633 13.966 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.073 12.598 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.194 14.090 -5.131 1.00 0.00 H new ATOM 0 HG SER A 60 3.385 14.468 -5.794 1.00 0.00 H new ATOM 944 N PRO A 61 -0.696 12.842 -2.894 1.00 0.00 N ATOM 945 CA PRO A 61 -1.954 12.114 -2.776 1.00 0.00 C ATOM 946 C PRO A 61 -2.513 11.693 -4.142 1.00 0.00 C ATOM 947 O PRO A 61 -3.370 10.812 -4.205 1.00 0.00 O ATOM 948 CB PRO A 61 -2.895 13.059 -2.024 1.00 0.00 C ATOM 949 CG PRO A 61 -2.379 14.449 -2.388 1.00 0.00 C ATOM 950 CD PRO A 61 -0.872 14.229 -2.502 1.00 0.00 C ATOM 0 HA PRO A 61 -1.824 11.174 -2.240 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.931 12.923 -2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.859 12.888 -0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.808 14.808 -3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.624 15.185 -1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.435 14.901 -3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.376 14.432 -1.553 1.00 0.00 H new ATOM 958 N ALA A 62 -2.027 12.276 -5.247 1.00 0.00 N ATOM 959 CA ALA A 62 -2.360 11.823 -6.594 1.00 0.00 C ATOM 960 C ALA A 62 -1.936 10.384 -6.801 1.00 0.00 C ATOM 961 O ALA A 62 -2.695 9.552 -7.296 1.00 0.00 O ATOM 962 CB ALA A 62 -1.674 12.710 -7.637 1.00 0.00 C ATOM 0 H ALA A 62 -1.393 13.074 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.441 11.892 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.931 12.361 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.009 13.740 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.593 12.661 -7.502 1.00 0.00 H new ATOM 968 N ASP A 63 -0.703 10.109 -6.415 1.00 0.00 N ATOM 969 CA ASP A 63 -0.033 8.837 -6.566 1.00 0.00 C ATOM 970 C ASP A 63 -0.842 7.786 -5.807 1.00 0.00 C ATOM 971 O ASP A 63 -1.067 6.692 -6.316 1.00 0.00 O ATOM 972 CB ASP A 63 1.405 8.961 -6.013 1.00 0.00 C ATOM 973 CG ASP A 63 2.239 10.150 -6.526 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.737 10.971 -7.326 1.00 0.00 O ATOM 975 OD2 ASP A 63 3.423 10.275 -6.148 1.00 0.00 O ATOM 0 H ASP A 63 -0.113 10.808 -5.963 1.00 0.00 H new ATOM 0 HA ASP A 63 0.035 8.540 -7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.348 9.028 -4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.941 8.042 -6.248 1.00 0.00 H new ATOM 980 N ALA A 64 -1.365 8.155 -4.630 1.00 0.00 N ATOM 981 CA ALA A 64 -2.096 7.234 -3.765 1.00 0.00 C ATOM 982 C ALA A 64 -3.524 7.019 -4.245 1.00 0.00 C ATOM 983 O ALA A 64 -4.093 5.958 -4.008 1.00 0.00 O ATOM 984 CB ALA A 64 -2.182 7.781 -2.345 1.00 0.00 C ATOM 0 H ALA A 64 -1.291 9.101 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.548 6.292 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.731 7.079 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.177 7.916 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.700 8.740 -2.355 1.00 0.00 H new ATOM 990 N LYS A 65 -4.149 8.029 -4.855 1.00 0.00 N ATOM 991 CA LYS A 65 -5.450 7.840 -5.476 1.00 0.00 C ATOM 992 C LYS A 65 -5.266 6.821 -6.588 1.00 0.00 C ATOM 993 O LYS A 65 -5.871 5.755 -6.527 1.00 0.00 O ATOM 994 CB LYS A 65 -6.041 9.172 -5.963 1.00 0.00 C ATOM 995 CG LYS A 65 -6.658 9.973 -4.799 1.00 0.00 C ATOM 996 CD LYS A 65 -7.147 11.360 -5.242 1.00 0.00 C ATOM 997 CE LYS A 65 -5.955 12.304 -5.442 1.00 0.00 C ATOM 998 NZ LYS A 65 -6.289 13.468 -6.286 1.00 0.00 N ATOM 0 H LYS A 65 -3.775 8.975 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.179 7.463 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.261 9.765 -6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.803 8.979 -6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.493 9.413 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.918 10.087 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.712 11.275 -6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.824 11.771 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.605 12.653 -4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.132 11.753 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.450 14.074 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.597 13.140 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.055 14.012 -5.840 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.440 7.122 -7.591 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.412 6.311 -8.795 1.00 0.00 C ATOM 1014 C ASP A 66 -3.874 4.910 -8.545 1.00 0.00 C ATOM 1015 O ASP A 66 -4.347 3.955 -9.165 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.633 7.002 -9.917 1.00 0.00 C ATOM 1017 CG ASP A 66 -4.576 7.603 -10.978 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -5.636 6.997 -11.272 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -4.261 8.709 -11.482 1.00 0.00 O ATOM 0 H ASP A 66 -3.793 7.910 -7.589 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.448 6.201 -9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.010 7.791 -9.495 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.963 6.285 -10.390 1.00 0.00 H new ATOM 1024 N ALA A 67 -2.946 4.747 -7.596 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.400 3.434 -7.302 1.00 0.00 C ATOM 1026 C ALA A 67 -3.465 2.453 -6.777 1.00 0.00 C ATOM 1027 O ALA A 67 -3.242 1.243 -6.817 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.238 3.559 -6.310 1.00 0.00 C ATOM 0 H ALA A 67 -2.566 5.504 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.031 3.018 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.835 2.569 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.456 4.183 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.596 4.013 -5.386 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.623 2.946 -6.319 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.776 2.151 -5.898 1.00 0.00 C ATOM 1036 C ALA A 68 -6.962 2.276 -6.866 1.00 0.00 C ATOM 1037 O ALA A 68 -8.069 1.852 -6.510 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.176 2.569 -4.480 1.00 0.00 C ATOM 0 H ALA A 68 -4.785 3.949 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.489 1.099 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.035 1.982 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.341 2.396 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.436 3.627 -4.472 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.759 2.881 -8.043 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.763 3.071 -9.096 1.00 0.00 C ATOM 1046 C ARG A 69 -7.368 2.364 -10.394 1.00 0.00 C ATOM 1047 O ARG A 69 -8.243 2.147 -11.236 1.00 0.00 O ATOM 1048 CB ARG A 69 -7.976 4.563 -9.375 1.00 0.00 C ATOM 1049 CG ARG A 69 -8.551 5.326 -8.188 1.00 0.00 C ATOM 1050 CD ARG A 69 -8.427 6.843 -8.356 1.00 0.00 C ATOM 1051 NE ARG A 69 -9.501 7.386 -9.196 1.00 0.00 N ATOM 1052 CZ ARG A 69 -9.436 7.772 -10.477 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -8.308 7.752 -11.187 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -10.548 8.189 -11.065 1.00 0.00 N ATOM 0 H ARG A 69 -5.850 3.268 -8.298 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.692 2.630 -8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.024 5.011 -9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.646 4.673 -10.227 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.601 5.061 -8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.035 5.020 -7.278 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.454 7.321 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.461 7.082 -8.801 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.412 7.482 -8.748 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.440 7.432 -10.757 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.313 8.057 -12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.424 8.210 -10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.528 8.489 -12.040 1.00 0.00 H new ATOM 1068 N ASP A 70 -6.092 2.004 -10.568 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.588 1.291 -11.747 1.00 0.00 C ATOM 1070 C ASP A 70 -5.041 -0.096 -11.407 1.00 0.00 C ATOM 1071 O ASP A 70 -5.079 -0.993 -12.244 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.472 2.115 -12.399 1.00 0.00 C ATOM 1073 CG ASP A 70 -4.001 1.498 -13.720 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -4.799 1.493 -14.686 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -2.824 1.068 -13.818 1.00 0.00 O ATOM 0 H ASP A 70 -5.366 2.204 -9.880 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.429 1.159 -12.428 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.828 3.129 -12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.629 2.190 -11.713 1.00 0.00 H new ATOM 1080 N MET A 71 -4.520 -0.280 -10.194 1.00 0.00 N ATOM 1081 CA MET A 71 -3.777 -1.476 -9.782 1.00 0.00 C ATOM 1082 C MET A 71 -4.615 -2.424 -8.914 1.00 0.00 C ATOM 1083 O MET A 71 -4.149 -3.504 -8.553 1.00 0.00 O ATOM 1084 CB MET A 71 -2.516 -1.020 -9.035 1.00 0.00 C ATOM 1085 CG MET A 71 -1.301 -1.796 -9.544 1.00 0.00 C ATOM 1086 SD MET A 71 0.022 -1.929 -8.334 1.00 0.00 S ATOM 1087 CE MET A 71 -0.681 -3.311 -7.409 1.00 0.00 C ATOM 0 H MET A 71 -4.604 0.414 -9.451 1.00 0.00 H new ATOM 0 HA MET A 71 -3.510 -2.046 -10.672 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.363 0.049 -9.181 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.639 -1.181 -7.964 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.616 -2.797 -9.838 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.916 -1.307 -10.439 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.195 -3.382 -6.436 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.750 -3.149 -7.270 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.523 -4.237 -7.962 1.00 0.00 H new ATOM 1097 N ASN A 72 -5.839 -2.038 -8.555 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.820 -2.900 -7.899 1.00 0.00 C ATOM 1099 C ASN A 72 -7.240 -4.041 -8.828 1.00 0.00 C ATOM 1100 O ASN A 72 -7.187 -3.915 -10.049 1.00 0.00 O ATOM 1101 CB ASN A 72 -8.058 -2.081 -7.492 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.591 -1.218 -8.633 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -8.022 -0.168 -8.905 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -9.653 -1.602 -9.318 1.00 0.00 N ATOM 0 H ASN A 72 -6.184 -1.092 -8.717 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.360 -3.324 -7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.843 -2.758 -7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.805 -1.442 -6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.005 -1.023 -10.080 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.121 -2.478 -9.085 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.701 -5.151 -8.250 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.374 -6.241 -8.951 1.00 0.00 C ATOM 1113 C GLY A 73 -7.484 -7.126 -9.819 1.00 0.00 C ATOM 1114 O GLY A 73 -7.982 -8.111 -10.367 1.00 0.00 O ATOM 0 H GLY A 73 -7.612 -5.320 -7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.870 -6.871 -8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.154 -5.815 -9.581 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.196 -6.817 -9.970 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.284 -7.598 -10.801 1.00 0.00 C ATOM 1120 C LYS A 74 -4.752 -8.826 -10.049 1.00 0.00 C ATOM 1121 O LYS A 74 -5.187 -9.133 -8.935 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.183 -6.671 -11.342 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.120 -6.293 -10.304 1.00 0.00 C ATOM 1124 CD LYS A 74 -2.069 -5.313 -10.828 1.00 0.00 C ATOM 1125 CE LYS A 74 -0.944 -5.875 -11.711 1.00 0.00 C ATOM 1126 NZ LYS A 74 -1.382 -6.478 -12.992 1.00 0.00 N ATOM 0 H LYS A 74 -5.756 -6.016 -9.518 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.816 -8.008 -11.660 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.695 -7.158 -12.186 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.644 -5.760 -11.723 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.612 -5.854 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.620 -7.199 -9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.586 -4.539 -11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.609 -4.824 -9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.241 -5.071 -11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.400 -6.629 -11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.582 -6.501 -13.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.719 -7.447 -12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.153 -5.910 -13.398 1.00 0.00 H new ATOM 1140 N SER A 75 -3.792 -9.520 -10.655 1.00 0.00 N ATOM 1141 CA SER A 75 -2.956 -10.535 -10.042 1.00 0.00 C ATOM 1142 C SER A 75 -1.500 -10.111 -10.209 1.00 0.00 C ATOM 1143 O SER A 75 -1.164 -9.281 -11.063 1.00 0.00 O ATOM 1144 CB SER A 75 -3.253 -11.870 -10.736 1.00 0.00 C ATOM 1145 OG SER A 75 -2.603 -12.971 -10.133 1.00 0.00 O ATOM 0 H SER A 75 -3.569 -9.378 -11.640 1.00 0.00 H new ATOM 0 HA SER A 75 -3.156 -10.651 -8.977 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.329 -12.044 -10.729 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.948 -11.804 -11.780 1.00 0.00 H new ATOM 0 HG SER A 75 -2.420 -12.767 -9.192 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.626 -10.707 -9.408 1.00 0.00 N ATOM 1152 CA LEU A 76 0.820 -10.637 -9.585 1.00 0.00 C ATOM 1153 C LEU A 76 1.372 -11.980 -9.142 1.00 0.00 C ATOM 1154 O LEU A 76 1.022 -12.439 -8.057 1.00 0.00 O ATOM 1155 CB LEU A 76 1.387 -9.446 -8.784 1.00 0.00 C ATOM 1156 CG LEU A 76 2.747 -8.875 -9.256 1.00 0.00 C ATOM 1157 CD1 LEU A 76 3.963 -9.755 -8.949 1.00 0.00 C ATOM 1158 CD2 LEU A 76 2.757 -8.541 -10.752 1.00 0.00 C ATOM 0 H LEU A 76 -0.907 -11.264 -8.601 1.00 0.00 H new ATOM 0 HA LEU A 76 1.109 -10.458 -10.621 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.653 -8.640 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.490 -9.754 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 76 2.845 -7.964 -8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.866 -9.269 -9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.044 -9.901 -7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.845 -10.722 -9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.734 -8.144 -11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.555 -9.444 -11.328 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.990 -7.796 -10.964 1.00 0.00 H new ATOM 1170 N ASP A 77 2.188 -12.631 -9.970 1.00 0.00 N ATOM 1171 CA ASP A 77 2.738 -13.976 -9.742 1.00 0.00 C ATOM 1172 C ASP A 77 1.652 -15.019 -9.421 1.00 0.00 C ATOM 1173 O ASP A 77 1.891 -15.999 -8.718 1.00 0.00 O ATOM 1174 CB ASP A 77 3.895 -13.959 -8.719 1.00 0.00 C ATOM 1175 CG ASP A 77 5.103 -14.702 -9.275 1.00 0.00 C ATOM 1176 OD1 ASP A 77 5.045 -15.934 -9.444 1.00 0.00 O ATOM 1177 OD2 ASP A 77 6.086 -14.018 -9.639 1.00 0.00 O ATOM 0 H ASP A 77 2.499 -12.225 -10.853 1.00 0.00 H new ATOM 0 HA ASP A 77 3.174 -14.303 -10.686 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.168 -12.930 -8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.572 -14.422 -7.787 1.00 0.00 H new ATOM 1182 N GLY A 78 0.422 -14.804 -9.896 1.00 0.00 N ATOM 1183 CA GLY A 78 -0.698 -15.696 -9.619 1.00 0.00 C ATOM 1184 C GLY A 78 -1.286 -15.518 -8.222 1.00 0.00 C ATOM 1185 O GLY A 78 -1.978 -16.417 -7.731 1.00 0.00 O ATOM 0 H GLY A 78 0.179 -14.006 -10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.480 -15.525 -10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.368 -16.728 -9.737 1.00 0.00 H new ATOM 1189 N LYS A 79 -1.031 -14.380 -7.573 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.527 -14.023 -6.251 1.00 0.00 C ATOM 1191 C LYS A 79 -2.494 -12.866 -6.447 1.00 0.00 C ATOM 1192 O LYS A 79 -2.142 -11.835 -7.030 1.00 0.00 O ATOM 1193 CB LYS A 79 -0.368 -13.679 -5.293 1.00 0.00 C ATOM 1194 CG LYS A 79 0.844 -14.631 -5.390 1.00 0.00 C ATOM 1195 CD LYS A 79 0.514 -16.113 -5.132 1.00 0.00 C ATOM 1196 CE LYS A 79 0.886 -16.526 -3.707 1.00 0.00 C ATOM 1197 NZ LYS A 79 0.212 -17.776 -3.305 1.00 0.00 N ATOM 0 H LYS A 79 -0.445 -13.650 -7.978 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.043 -14.860 -5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.033 -12.662 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.743 -13.691 -4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.285 -14.537 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.600 -14.310 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.550 -16.285 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.052 -16.737 -5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.966 -16.656 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.615 -15.728 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.489 -18.023 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.819 -17.644 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.490 -18.543 -3.950 1.00 0.00 H new ATOM 1211 N ALA A 80 -3.749 -13.091 -6.075 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.839 -12.162 -6.280 1.00 0.00 C ATOM 1213 C ALA A 80 -4.760 -11.072 -5.215 1.00 0.00 C ATOM 1214 O ALA A 80 -5.323 -11.214 -4.125 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.163 -12.929 -6.218 1.00 0.00 C ATOM 0 H ALA A 80 -4.038 -13.951 -5.610 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.773 -11.686 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.992 -12.238 -6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.178 -13.692 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.263 -13.404 -5.242 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.035 -10.000 -5.518 1.00 0.00 N ATOM 1222 CA ILE A 81 -3.861 -8.890 -4.599 1.00 0.00 C ATOM 1223 C ILE A 81 -5.207 -8.208 -4.309 1.00 0.00 C ATOM 1224 O ILE A 81 -6.134 -8.258 -5.116 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.785 -7.916 -5.126 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -3.257 -7.114 -6.357 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.470 -8.668 -5.430 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -2.230 -6.061 -6.774 1.00 0.00 C ATOM 0 H ILE A 81 -3.553 -9.880 -6.409 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.497 -9.267 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.601 -7.191 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.437 -7.796 -7.188 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.206 -6.628 -6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.725 -7.963 -5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.102 -9.140 -4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.654 -9.432 -6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.599 -5.518 -7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.069 -5.364 -5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.289 -6.550 -7.024 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.278 -7.508 -3.178 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.325 -6.543 -2.845 1.00 0.00 C ATOM 1242 C LYS A 82 -5.615 -5.215 -2.651 1.00 0.00 C ATOM 1243 O LYS A 82 -4.522 -5.226 -2.075 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.051 -6.955 -1.555 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.054 -8.111 -1.740 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.467 -7.562 -1.979 1.00 0.00 C ATOM 1247 CE LYS A 82 -10.528 -8.654 -2.141 1.00 0.00 C ATOM 1248 NZ LYS A 82 -11.883 -8.064 -2.154 1.00 0.00 N ATOM 0 H LYS A 82 -4.581 -7.601 -2.440 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.079 -6.486 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.310 -7.247 -0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.580 -6.089 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.751 -8.732 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.050 -8.749 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.744 -6.919 -1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.459 -6.939 -2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.355 -9.202 -3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.446 -9.372 -1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.589 -8.819 -2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.051 -7.561 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.963 -7.396 -2.947 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.189 -4.110 -3.124 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.631 -2.768 -2.988 1.00 0.00 C ATOM 1264 C VAL A 83 -6.798 -1.828 -2.691 1.00 0.00 C ATOM 1265 O VAL A 83 -7.628 -1.563 -3.566 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.840 -2.341 -4.246 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.196 -0.961 -4.040 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.719 -3.327 -4.610 1.00 0.00 C ATOM 0 H VAL A 83 -7.077 -4.125 -3.625 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.906 -2.736 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.567 -2.318 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.644 -0.679 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.973 -0.222 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.513 -1.001 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.199 -2.974 -5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.013 -3.397 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.148 -4.310 -4.805 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.867 -1.329 -1.461 1.00 0.00 N ATOM 1279 CA GLU A 84 -7.944 -0.491 -0.953 1.00 0.00 C ATOM 1280 C GLU A 84 -7.373 0.687 -0.169 1.00 0.00 C ATOM 1281 O GLU A 84 -6.157 0.883 -0.096 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.952 -1.324 -0.141 1.00 0.00 C ATOM 1283 CG GLU A 84 -8.356 -2.235 0.919 1.00 0.00 C ATOM 1284 CD GLU A 84 -9.448 -2.929 1.712 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -10.161 -3.783 1.135 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -9.614 -2.606 2.908 1.00 0.00 O ATOM 0 H GLU A 84 -6.144 -1.506 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.500 -0.073 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.651 -0.642 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.531 -1.934 -0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.715 -2.979 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.726 -1.653 1.592 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.254 1.526 0.371 1.00 0.00 N ATOM 1294 CA GLN A 85 -7.901 2.791 0.981 1.00 0.00 C ATOM 1295 C GLN A 85 -8.172 2.667 2.472 1.00 0.00 C ATOM 1296 O GLN A 85 -9.317 2.504 2.898 1.00 0.00 O ATOM 1297 CB GLN A 85 -8.645 3.947 0.292 1.00 0.00 C ATOM 1298 CG GLN A 85 -8.469 3.855 -1.233 1.00 0.00 C ATOM 1299 CD GLN A 85 -8.586 5.200 -1.921 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -7.464 5.794 -2.294 1.00 0.00 O flip ATOM 1301 NE2 GLN A 85 -9.680 5.708 -2.152 1.00 0.00 N flip ATOM 0 H GLN A 85 -9.255 1.334 0.393 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.845 3.028 0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.704 3.911 0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.263 4.902 0.653 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.494 3.422 -1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.219 3.177 -1.640 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.534 5.235 -1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.734 6.603 -2.639 1.00 0.00 H new ATOM 1310 N ALA A 86 -7.096 2.690 3.257 1.00 0.00 N ATOM 1311 CA ALA A 86 -7.133 2.687 4.713 1.00 0.00 C ATOM 1312 C ALA A 86 -7.631 4.050 5.200 1.00 0.00 C ATOM 1313 O ALA A 86 -6.830 4.920 5.569 1.00 0.00 O ATOM 1314 CB ALA A 86 -5.734 2.366 5.248 1.00 0.00 C ATOM 0 H ALA A 86 -6.147 2.712 2.883 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.818 1.924 5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.753 2.362 6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.422 1.386 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.029 3.122 4.900 1.00 0.00 H new ATOM 1320 N THR A 87 -8.944 4.258 5.167 1.00 0.00 N ATOM 1321 CA THR A 87 -9.572 5.532 5.469 1.00 0.00 C ATOM 1322 C THR A 87 -10.876 5.313 6.247 1.00 0.00 C ATOM 1323 O THR A 87 -11.158 4.205 6.718 1.00 0.00 O ATOM 1324 CB THR A 87 -9.692 6.345 4.164 1.00 0.00 C ATOM 1325 OG1 THR A 87 -9.846 7.693 4.524 1.00 0.00 O ATOM 1326 CG2 THR A 87 -10.814 5.904 3.216 1.00 0.00 C ATOM 0 H THR A 87 -9.612 3.527 4.924 1.00 0.00 H new ATOM 0 HA THR A 87 -8.964 6.137 6.141 1.00 0.00 H new ATOM 0 HB THR A 87 -8.783 6.172 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.924 8.241 3.715 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.812 6.539 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.654 4.867 2.920 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.775 5.992 3.723 1.00 0.00 H new