USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 411 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 14 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.1!) USER MOD Single : A 12 THR OG1 : rot 36:sc= 0.0762 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -2.28! C(o=-2.3!,f=-3.8!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.555 K(o=-0.56,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.0636 (180deg=-0.361) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 30 GLN : amide:sc= -10.5! C(o=-11!,f=-13!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 76:sc= 1.15 USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00263 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.374 K(o=-0.37,f=-4.9!) USER MOD Single : A 58 LYS NZ :NH3+ -118:sc= -1.16 (180deg=-2.65!) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.890 12.263 -5.085 1.00 0.00 N ATOM 151 CA THR A 12 -0.005 11.166 -4.715 1.00 0.00 C ATOM 152 C THR A 12 -0.302 9.919 -5.539 1.00 0.00 C ATOM 153 O THR A 12 -1.395 9.771 -6.087 1.00 0.00 O ATOM 154 CB THR A 12 -0.133 10.822 -3.219 1.00 0.00 C ATOM 155 OG1 THR A 12 0.149 11.979 -2.424 1.00 0.00 O ATOM 156 CG2 THR A 12 0.818 9.696 -2.840 1.00 0.00 C ATOM 0 HA THR A 12 1.013 11.498 -4.918 1.00 0.00 H new ATOM 0 HB THR A 12 -1.155 10.493 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.197 12.778 -2.874 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.710 9.470 -1.779 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.582 8.808 -3.426 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.844 10.003 -3.043 1.00 0.00 H new ATOM 164 N ILE A 13 0.676 9.023 -5.621 1.00 0.00 N ATOM 165 CA ILE A 13 0.518 7.787 -6.377 1.00 0.00 C ATOM 166 C ILE A 13 -0.808 7.109 -6.052 1.00 0.00 C ATOM 167 O ILE A 13 -1.300 6.283 -6.820 1.00 0.00 O ATOM 168 CB ILE A 13 1.668 6.803 -6.094 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.015 7.452 -6.418 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.482 5.525 -6.899 1.00 0.00 C ATOM 171 CD1 ILE A 13 3.631 8.183 -5.246 1.00 0.00 C ATOM 0 H ILE A 13 1.586 9.130 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 13 0.535 8.059 -7.432 1.00 0.00 H new ATOM 0 HB ILE A 13 1.655 6.547 -5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.707 6.682 -6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.883 8.152 -7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.303 4.839 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.537 5.056 -6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.472 5.763 -7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.584 8.618 -5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.959 8.975 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.795 7.483 -4.427 1.00 0.00 H new ATOM 183 N TYR A 14 -1.383 7.466 -4.909 1.00 0.00 N ATOM 184 CA TYR A 14 -2.653 6.892 -4.480 1.00 0.00 C ATOM 185 C TYR A 14 -3.574 7.968 -3.913 1.00 0.00 C ATOM 186 O TYR A 14 -3.124 8.893 -3.238 1.00 0.00 O ATOM 187 CB TYR A 14 -2.417 5.803 -3.432 1.00 0.00 C ATOM 188 CG TYR A 14 -1.963 4.485 -4.020 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.636 4.281 -4.375 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.862 3.444 -4.218 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.217 3.080 -4.913 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.451 2.239 -4.753 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.128 2.062 -5.100 1.00 0.00 C ATOM 194 OH TYR A 14 -0.715 0.863 -5.633 1.00 0.00 O ATOM 0 H TYR A 14 -0.990 8.150 -4.263 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.135 6.450 -5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.668 6.151 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.338 5.643 -2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.081 5.075 -4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.899 3.580 -3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.818 2.939 -5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.162 1.439 -4.899 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.403 0.183 -5.480 1.00 0.00 H new ATOM 204 N SER A 15 -4.867 7.839 -4.193 1.00 0.00 N ATOM 205 CA SER A 15 -5.853 8.801 -3.714 1.00 0.00 C ATOM 206 C SER A 15 -5.965 8.752 -2.193 1.00 0.00 C ATOM 207 O SER A 15 -5.777 7.702 -1.579 1.00 0.00 O ATOM 208 CB SER A 15 -7.217 8.522 -4.347 1.00 0.00 C ATOM 209 OG SER A 15 -8.142 9.551 -4.039 1.00 0.00 O ATOM 0 H SER A 15 -5.256 7.078 -4.749 1.00 0.00 H new ATOM 0 HA SER A 15 -5.523 9.798 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.109 8.437 -5.428 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.599 7.566 -3.989 1.00 0.00 H new ATOM 0 HG SER A 15 -9.006 9.350 -4.456 1.00 0.00 H new ATOM 215 N SER A 16 -6.273 9.897 -1.592 1.00 0.00 N ATOM 216 CA SER A 16 -6.407 9.988 -0.143 1.00 0.00 C ATOM 217 C SER A 16 -7.362 8.920 0.382 1.00 0.00 C ATOM 218 O SER A 16 -7.079 8.253 1.377 1.00 0.00 O ATOM 219 CB SER A 16 -6.906 11.377 0.258 1.00 0.00 C ATOM 220 OG SER A 16 -8.126 11.688 -0.391 1.00 0.00 O ATOM 0 H SER A 16 -6.434 10.774 -2.086 1.00 0.00 H new ATOM 0 HA SER A 16 -5.425 9.821 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.044 11.419 1.338 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.154 12.124 0.003 1.00 0.00 H new ATOM 0 HG SER A 16 -8.424 12.580 -0.116 1.00 0.00 H new ATOM 226 N PHE A 17 -8.495 8.765 -0.295 1.00 0.00 N ATOM 227 CA PHE A 17 -9.494 7.779 0.103 1.00 0.00 C ATOM 228 C PHE A 17 -8.898 6.375 0.114 1.00 0.00 C ATOM 229 O PHE A 17 -9.054 5.631 1.082 1.00 0.00 O ATOM 230 CB PHE A 17 -10.695 7.829 -0.844 1.00 0.00 C ATOM 231 CG PHE A 17 -11.460 6.538 -0.909 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.137 6.062 0.202 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.502 5.801 -2.082 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.841 4.874 0.144 1.00 0.00 C ATOM 235 CE2 PHE A 17 -12.205 4.612 -2.145 1.00 0.00 C ATOM 236 CZ PHE A 17 -12.876 4.149 -1.031 1.00 0.00 C ATOM 0 H PHE A 17 -8.744 9.309 -1.121 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.826 8.021 1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.367 8.625 -0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.348 8.088 -1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.114 6.625 1.123 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.980 6.159 -2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.364 4.513 1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.229 4.046 -3.065 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.427 3.222 -1.078 1.00 0.00 H new ATOM 246 N GLN A 18 -8.215 6.020 -0.969 1.00 0.00 N ATOM 247 CA GLN A 18 -7.596 4.704 -1.085 1.00 0.00 C ATOM 248 C GLN A 18 -6.537 4.504 -0.007 1.00 0.00 C ATOM 249 O GLN A 18 -6.486 3.458 0.642 1.00 0.00 O ATOM 250 CB GLN A 18 -6.971 4.531 -2.470 1.00 0.00 C ATOM 251 CG GLN A 18 -7.993 4.360 -3.582 1.00 0.00 C ATOM 252 CD GLN A 18 -7.349 4.135 -4.936 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.182 4.467 -5.145 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.109 3.569 -5.867 1.00 0.00 N ATOM 0 H GLN A 18 -8.076 6.625 -1.779 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.373 3.952 -0.949 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.349 5.399 -2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.313 3.662 -2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.642 3.516 -3.348 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.626 5.246 -3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.072 3.309 -5.651 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.730 3.394 -6.798 1.00 0.00 H new ATOM 263 N LEU A 19 -5.692 5.512 0.180 1.00 0.00 N ATOM 264 CA LEU A 19 -4.632 5.448 1.180 1.00 0.00 C ATOM 265 C LEU A 19 -5.214 5.287 2.581 1.00 0.00 C ATOM 266 O LEU A 19 -4.887 4.340 3.295 1.00 0.00 O ATOM 267 CB LEU A 19 -3.766 6.707 1.116 1.00 0.00 C ATOM 268 CG LEU A 19 -2.600 6.671 0.127 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.780 7.947 0.222 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.725 5.452 0.379 1.00 0.00 C ATOM 0 H LEU A 19 -5.720 6.384 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.013 4.578 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.406 7.551 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.366 6.899 2.111 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.006 6.599 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.955 7.903 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.413 8.804 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.383 8.050 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.900 5.442 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.328 5.493 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.319 4.546 0.258 1.00 0.00 H new ATOM 282 N ALA A 20 -6.080 6.218 2.966 1.00 0.00 N ATOM 283 CA ALA A 20 -6.711 6.178 4.279 1.00 0.00 C ATOM 284 C ALA A 20 -6.999 4.743 4.706 1.00 0.00 C ATOM 285 O ALA A 20 -6.607 4.318 5.793 1.00 0.00 O ATOM 286 CB ALA A 20 -7.995 6.996 4.274 1.00 0.00 C ATOM 0 H ALA A 20 -6.361 7.009 2.387 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.019 6.613 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.455 6.957 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.766 8.031 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.684 6.586 3.536 1.00 0.00 H new ATOM 292 N ALA A 21 -7.685 4.000 3.845 1.00 0.00 N ATOM 293 CA ALA A 21 -8.024 2.611 4.133 1.00 0.00 C ATOM 294 C ALA A 21 -6.777 1.734 4.144 1.00 0.00 C ATOM 295 O ALA A 21 -6.598 0.903 5.035 1.00 0.00 O ATOM 296 CB ALA A 21 -9.029 2.091 3.116 1.00 0.00 C ATOM 0 H ALA A 21 -8.018 4.336 2.941 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.474 2.570 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.273 1.053 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.936 2.695 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.600 2.152 2.116 1.00 0.00 H new ATOM 302 N LEU A 22 -5.917 1.922 3.148 1.00 0.00 N ATOM 303 CA LEU A 22 -4.687 1.146 3.043 1.00 0.00 C ATOM 304 C LEU A 22 -3.875 1.234 4.332 1.00 0.00 C ATOM 305 O LEU A 22 -3.643 0.227 5.000 1.00 0.00 O ATOM 306 CB LEU A 22 -3.847 1.642 1.864 1.00 0.00 C ATOM 307 CG LEU A 22 -4.322 1.213 0.475 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.667 2.066 -0.600 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.026 -0.262 0.242 1.00 0.00 C ATOM 0 H LEU A 22 -6.049 2.605 2.402 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.958 0.103 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.819 2.731 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.824 1.293 2.000 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.401 1.360 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.017 1.746 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.929 3.112 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.584 1.952 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.371 -0.550 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.952 -0.434 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.543 -0.860 0.993 1.00 0.00 H new ATOM 321 N GLN A 23 -3.449 2.446 4.675 1.00 0.00 N ATOM 322 CA GLN A 23 -2.666 2.665 5.885 1.00 0.00 C ATOM 323 C GLN A 23 -3.351 2.043 7.098 1.00 0.00 C ATOM 324 O GLN A 23 -2.707 1.393 7.921 1.00 0.00 O ATOM 325 CB GLN A 23 -2.453 4.162 6.116 1.00 0.00 C ATOM 326 CG GLN A 23 -1.314 4.748 5.297 1.00 0.00 C ATOM 327 CD GLN A 23 -0.766 6.030 5.893 1.00 0.00 C ATOM 328 OE1 GLN A 23 0.129 6.002 6.738 1.00 0.00 O ATOM 329 NE2 GLN A 23 -1.302 7.163 5.455 1.00 0.00 N ATOM 0 H GLN A 23 -3.633 3.290 4.132 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.697 2.184 5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.374 4.693 5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.254 4.333 7.174 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.511 4.015 5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.664 4.943 4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.042 7.139 4.753 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.974 8.057 5.820 1.00 0.00 H new ATOM 338 N ARG A 24 -4.660 2.249 7.201 1.00 0.00 N ATOM 339 CA ARG A 24 -5.432 1.710 8.314 1.00 0.00 C ATOM 340 C ARG A 24 -5.200 0.209 8.460 1.00 0.00 C ATOM 341 O ARG A 24 -5.141 -0.315 9.573 1.00 0.00 O ATOM 342 CB ARG A 24 -6.923 1.989 8.111 1.00 0.00 C ATOM 343 CG ARG A 24 -7.382 3.309 8.708 1.00 0.00 C ATOM 344 CD ARG A 24 -8.871 3.292 9.019 1.00 0.00 C ATOM 345 NE ARG A 24 -9.683 3.425 7.812 1.00 0.00 N ATOM 346 CZ ARG A 24 -10.986 3.167 7.772 1.00 0.00 C ATOM 347 NH1 ARG A 24 -11.620 2.764 8.864 1.00 0.00 N ATOM 348 NH2 ARG A 24 -11.657 3.311 6.636 1.00 0.00 N ATOM 0 H ARG A 24 -5.208 2.785 6.528 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.098 2.203 9.227 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.142 1.987 7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.500 1.178 8.556 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.821 3.512 9.620 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.164 4.120 8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.125 2.361 9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.107 4.104 9.706 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.225 3.732 6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.108 2.651 9.739 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.620 2.567 8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.173 3.620 5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.657 3.113 6.606 1.00 0.00 H new ATOM 362 N ARG A 25 -5.070 -0.478 7.330 1.00 0.00 N ATOM 363 CA ARG A 25 -4.847 -1.919 7.332 1.00 0.00 C ATOM 364 C ARG A 25 -3.379 -2.240 7.598 1.00 0.00 C ATOM 365 O ARG A 25 -3.059 -3.086 8.434 1.00 0.00 O ATOM 366 CB ARG A 25 -5.279 -2.526 5.996 1.00 0.00 C ATOM 367 CG ARG A 25 -5.449 -4.035 6.040 1.00 0.00 C ATOM 368 CD ARG A 25 -6.715 -4.433 6.783 1.00 0.00 C ATOM 369 NE ARG A 25 -7.896 -4.365 5.927 1.00 0.00 N ATOM 370 CZ ARG A 25 -9.012 -5.047 6.159 1.00 0.00 C ATOM 371 NH1 ARG A 25 -9.099 -5.843 7.216 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.045 -4.933 5.334 1.00 0.00 N ATOM 0 H ARG A 25 -5.115 -0.060 6.401 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.448 -2.354 8.131 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.221 -2.072 5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.539 -2.274 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.484 -4.428 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.584 -4.485 6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.605 -5.446 7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.852 -3.777 7.643 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.862 -3.761 5.106 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.308 -5.933 7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.957 -6.365 7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.983 -4.321 4.520 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.901 -5.457 5.513 1.00 0.00 H new ATOM 386 N PHE A 26 -2.490 -1.561 6.880 1.00 0.00 N ATOM 387 CA PHE A 26 -1.056 -1.775 7.037 1.00 0.00 C ATOM 388 C PHE A 26 -0.676 -1.847 8.513 1.00 0.00 C ATOM 389 O PHE A 26 -0.048 -2.809 8.956 1.00 0.00 O ATOM 390 CB PHE A 26 -0.274 -0.654 6.351 1.00 0.00 C ATOM 391 CG PHE A 26 1.115 -1.055 5.943 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.323 -1.825 4.809 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.212 -0.664 6.693 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.599 -2.195 4.430 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.491 -1.032 6.319 1.00 0.00 C ATOM 396 CZ PHE A 26 3.685 -1.799 5.187 1.00 0.00 C ATOM 0 H PHE A 26 -2.738 -0.858 6.184 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.802 -2.725 6.568 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.823 -0.326 5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.214 0.201 7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.478 -2.139 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.066 -0.065 7.580 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.747 -2.793 3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.338 -0.720 6.912 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.683 -2.089 4.894 1.00 0.00 H new ATOM 406 N GLN A 27 -1.059 -0.823 9.268 1.00 0.00 N ATOM 407 CA GLN A 27 -0.757 -0.769 10.693 1.00 0.00 C ATOM 408 C GLN A 27 -1.182 -2.058 11.389 1.00 0.00 C ATOM 409 O GLN A 27 -0.536 -2.508 12.335 1.00 0.00 O ATOM 410 CB GLN A 27 -1.456 0.428 11.340 1.00 0.00 C ATOM 411 CG GLN A 27 -2.968 0.408 11.181 1.00 0.00 C ATOM 412 CD GLN A 27 -3.678 1.202 12.260 1.00 0.00 C ATOM 413 OE1 GLN A 27 -3.152 1.388 13.357 1.00 0.00 O ATOM 414 NE2 GLN A 27 -4.881 1.674 11.953 1.00 0.00 N ATOM 0 H GLN A 27 -1.579 -0.019 8.916 1.00 0.00 H new ATOM 0 HA GLN A 27 0.321 -0.655 10.805 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.211 0.451 12.402 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.065 1.347 10.903 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.232 0.813 10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.319 -0.624 11.204 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.279 1.496 11.031 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.407 2.215 12.639 1.00 0.00 H new ATOM 423 N LYS A 28 -2.274 -2.648 10.914 1.00 0.00 N ATOM 424 CA LYS A 28 -2.787 -3.886 11.489 1.00 0.00 C ATOM 425 C LYS A 28 -1.909 -5.071 11.100 1.00 0.00 C ATOM 426 O LYS A 28 -1.520 -5.875 11.948 1.00 0.00 O ATOM 427 CB LYS A 28 -4.225 -4.130 11.027 1.00 0.00 C ATOM 428 CG LYS A 28 -5.037 -4.980 11.989 1.00 0.00 C ATOM 429 CD LYS A 28 -4.881 -6.462 11.692 1.00 0.00 C ATOM 430 CE LYS A 28 -5.401 -7.317 12.837 1.00 0.00 C ATOM 431 NZ LYS A 28 -4.567 -7.172 14.062 1.00 0.00 N ATOM 0 H LYS A 28 -2.821 -2.288 10.132 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.773 -3.786 12.574 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.723 -3.170 10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.207 -4.617 10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.719 -4.778 13.012 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.089 -4.703 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.420 -6.710 10.778 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.830 -6.690 11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.429 -7.035 13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.417 -8.363 12.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.726 -7.987 14.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.563 -7.131 13.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.829 -6.297 14.559 1.00 0.00 H new ATOM 445 N THR A 29 -1.598 -5.173 9.811 1.00 0.00 N ATOM 446 CA THR A 29 -0.766 -6.260 9.309 1.00 0.00 C ATOM 447 C THR A 29 -0.209 -5.933 7.929 1.00 0.00 C ATOM 448 O THR A 29 -0.806 -5.165 7.175 1.00 0.00 O ATOM 449 CB THR A 29 -1.553 -7.582 9.234 1.00 0.00 C ATOM 450 OG1 THR A 29 -0.715 -8.622 8.719 1.00 0.00 O ATOM 451 CG2 THR A 29 -2.782 -7.430 8.349 1.00 0.00 C ATOM 0 H THR A 29 -1.910 -4.516 9.096 1.00 0.00 H new ATOM 0 HA THR A 29 0.059 -6.377 10.012 1.00 0.00 H new ATOM 0 HB THR A 29 -1.879 -7.843 10.241 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.222 -9.460 8.676 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.322 -8.376 8.311 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.432 -6.657 8.759 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.473 -7.148 7.343 1.00 0.00 H new ATOM 459 N GLN A 30 0.938 -6.521 7.604 1.00 0.00 N ATOM 460 CA GLN A 30 1.575 -6.292 6.312 1.00 0.00 C ATOM 461 C GLN A 30 1.256 -7.422 5.340 1.00 0.00 C ATOM 462 O GLN A 30 1.250 -7.226 4.124 1.00 0.00 O ATOM 463 CB GLN A 30 3.089 -6.162 6.483 1.00 0.00 C ATOM 464 CG GLN A 30 3.496 -5.252 7.631 1.00 0.00 C ATOM 465 CD GLN A 30 2.751 -3.932 7.622 1.00 0.00 C ATOM 466 OE1 GLN A 30 2.223 -3.511 6.592 1.00 0.00 O ATOM 467 NE2 GLN A 30 2.704 -3.271 8.772 1.00 0.00 N ATOM 0 H GLN A 30 1.445 -7.159 8.217 1.00 0.00 H new ATOM 0 HA GLN A 30 1.182 -5.362 5.901 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.514 -7.152 6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.519 -5.780 5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.312 -5.762 8.577 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.568 -5.060 7.575 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.156 -3.657 9.601 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.216 -2.377 8.827 1.00 0.00 H new ATOM 476 N TYR A 31 0.991 -8.606 5.882 1.00 0.00 N ATOM 477 CA TYR A 31 0.674 -9.769 5.062 1.00 0.00 C ATOM 478 C TYR A 31 -0.819 -10.078 5.109 1.00 0.00 C ATOM 479 O TYR A 31 -1.291 -10.789 5.997 1.00 0.00 O ATOM 480 CB TYR A 31 1.473 -10.985 5.534 1.00 0.00 C ATOM 481 CG TYR A 31 2.955 -10.881 5.256 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.748 -9.967 5.939 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.563 -11.697 4.310 1.00 0.00 C ATOM 484 CE1 TYR A 31 5.103 -9.869 5.688 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.917 -11.607 4.053 1.00 0.00 C ATOM 486 CZ TYR A 31 5.683 -10.690 4.744 1.00 0.00 C ATOM 487 OH TYR A 31 7.032 -10.596 4.491 1.00 0.00 O ATOM 0 H TYR A 31 0.990 -8.785 6.886 1.00 0.00 H new ATOM 0 HA TYR A 31 0.947 -9.541 4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.321 -11.115 6.605 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.082 -11.878 5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.297 -9.322 6.679 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.966 -12.414 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.705 -9.153 6.228 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.374 -12.250 3.316 1.00 0.00 H new ATOM 0 HH TYR A 31 7.281 -11.245 3.800 1.00 0.00 H new ATOM 497 N LEU A 32 -1.558 -9.538 4.146 1.00 0.00 N ATOM 498 CA LEU A 32 -2.999 -9.755 4.074 1.00 0.00 C ATOM 499 C LEU A 32 -3.315 -11.118 3.466 1.00 0.00 C ATOM 500 O LEU A 32 -2.590 -11.604 2.598 1.00 0.00 O ATOM 501 CB LEU A 32 -3.661 -8.650 3.250 1.00 0.00 C ATOM 502 CG LEU A 32 -3.806 -7.293 3.940 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.434 -6.279 2.997 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.633 -7.426 5.211 1.00 0.00 C ATOM 0 H LEU A 32 -1.183 -8.947 3.404 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.396 -9.730 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.084 -8.510 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.652 -8.991 2.952 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.812 -6.938 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.529 -5.320 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.803 -6.162 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.421 -6.628 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.726 -6.451 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.625 -7.804 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.142 -8.119 5.894 1.00 0.00 H new ATOM 516 N ALA A 33 -4.403 -11.728 3.925 1.00 0.00 N ATOM 517 CA ALA A 33 -4.817 -13.032 3.423 1.00 0.00 C ATOM 518 C ALA A 33 -5.370 -12.924 2.006 1.00 0.00 C ATOM 519 O ALA A 33 -5.478 -11.829 1.452 1.00 0.00 O ATOM 520 CB ALA A 33 -5.853 -13.650 4.351 1.00 0.00 C ATOM 0 H ALA A 33 -5.014 -11.340 4.644 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.940 -13.678 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.153 -14.624 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.424 -13.771 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.725 -12.998 4.409 1.00 0.00 H new ATOM 526 N LEU A 34 -5.719 -14.066 1.424 1.00 0.00 N ATOM 527 CA LEU A 34 -6.261 -14.100 0.070 1.00 0.00 C ATOM 528 C LEU A 34 -7.477 -13.188 -0.053 1.00 0.00 C ATOM 529 O LEU A 34 -7.498 -12.244 -0.843 1.00 0.00 O ATOM 530 CB LEU A 34 -6.642 -15.532 -0.312 1.00 0.00 C ATOM 531 CG LEU A 34 -7.840 -15.680 -1.250 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.519 -15.106 -2.621 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.251 -17.141 -1.364 1.00 0.00 C ATOM 0 H LEU A 34 -5.636 -14.980 1.868 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.491 -13.741 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.778 -16.004 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.851 -16.087 0.602 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.676 -15.120 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.384 -15.220 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.275 -14.048 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.668 -15.637 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.105 -17.227 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.419 -17.723 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.524 -17.520 -0.379 1.00 0.00 H new ATOM 545 N PRO A 35 -8.514 -13.474 0.748 1.00 0.00 N ATOM 546 CA PRO A 35 -9.753 -12.689 0.749 1.00 0.00 C ATOM 547 C PRO A 35 -9.556 -11.296 1.338 1.00 0.00 C ATOM 548 O PRO A 35 -10.346 -10.388 1.083 1.00 0.00 O ATOM 549 CB PRO A 35 -10.694 -13.514 1.631 1.00 0.00 C ATOM 550 CG PRO A 35 -9.791 -14.293 2.524 1.00 0.00 C ATOM 551 CD PRO A 35 -8.558 -14.584 1.714 1.00 0.00 C ATOM 0 HA PRO A 35 -10.130 -12.520 -0.260 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.362 -12.872 2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.322 -14.173 1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.544 -13.725 3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.269 -15.216 2.853 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.664 -14.609 2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.625 -15.550 1.213 1.00 0.00 H new ATOM 559 N GLU A 36 -8.496 -11.135 2.124 1.00 0.00 N ATOM 560 CA GLU A 36 -8.197 -9.852 2.748 1.00 0.00 C ATOM 561 C GLU A 36 -7.665 -8.858 1.720 1.00 0.00 C ATOM 562 O GLU A 36 -8.196 -7.756 1.574 1.00 0.00 O ATOM 563 CB GLU A 36 -7.176 -10.033 3.874 1.00 0.00 C ATOM 564 CG GLU A 36 -7.775 -10.589 5.155 1.00 0.00 C ATOM 565 CD GLU A 36 -9.133 -9.994 5.470 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.180 -8.847 5.961 1.00 0.00 O ATOM 567 OE2 GLU A 36 -10.151 -10.676 5.225 1.00 0.00 O ATOM 0 H GLU A 36 -7.831 -11.876 2.343 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.122 -9.456 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.386 -10.701 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.710 -9.071 4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.868 -11.672 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.095 -10.393 5.984 1.00 0.00 H new ATOM 574 N ARG A 37 -6.614 -9.254 1.010 1.00 0.00 N ATOM 575 CA ARG A 37 -6.009 -8.399 -0.003 1.00 0.00 C ATOM 576 C ARG A 37 -7.053 -7.929 -1.012 1.00 0.00 C ATOM 577 O ARG A 37 -7.108 -6.749 -1.359 1.00 0.00 O ATOM 578 CB ARG A 37 -4.885 -9.144 -0.726 1.00 0.00 C ATOM 579 CG ARG A 37 -4.253 -8.346 -1.855 1.00 0.00 C ATOM 580 CD ARG A 37 -3.307 -9.203 -2.681 1.00 0.00 C ATOM 581 NE ARG A 37 -3.740 -10.597 -2.738 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.468 -11.490 -1.794 1.00 0.00 C ATOM 583 NH1 ARG A 37 -2.768 -11.137 -0.725 1.00 0.00 N ATOM 584 NH2 ARG A 37 -3.897 -12.740 -1.918 1.00 0.00 N ATOM 0 H ARG A 37 -6.164 -10.163 1.118 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.593 -7.525 0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.113 -9.409 -0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.279 -10.077 -1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.035 -7.942 -2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.709 -7.497 -1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.244 -8.801 -3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.305 -9.152 -2.254 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.281 -10.901 -3.548 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.437 -10.177 -0.626 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.560 -11.825 -0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.436 -13.015 -2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.688 -13.425 -1.192 1.00 0.00 H new ATOM 598 N ALA A 38 -7.879 -8.860 -1.478 1.00 0.00 N ATOM 599 CA ALA A 38 -8.922 -8.541 -2.445 1.00 0.00 C ATOM 600 C ALA A 38 -9.876 -7.486 -1.896 1.00 0.00 C ATOM 601 O ALA A 38 -10.389 -6.652 -2.641 1.00 0.00 O ATOM 602 CB ALA A 38 -9.686 -9.798 -2.831 1.00 0.00 C ATOM 0 H ALA A 38 -7.846 -9.841 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.445 -8.132 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.462 -9.545 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.999 -10.520 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.145 -10.232 -1.943 1.00 0.00 H new ATOM 608 N GLU A 39 -10.110 -7.531 -0.588 1.00 0.00 N ATOM 609 CA GLU A 39 -11.005 -6.579 0.060 1.00 0.00 C ATOM 610 C GLU A 39 -10.592 -5.144 -0.253 1.00 0.00 C ATOM 611 O GLU A 39 -11.434 -4.294 -0.545 1.00 0.00 O ATOM 612 CB GLU A 39 -11.012 -6.801 1.574 1.00 0.00 C ATOM 613 CG GLU A 39 -12.030 -5.946 2.310 1.00 0.00 C ATOM 614 CD GLU A 39 -13.375 -6.631 2.450 1.00 0.00 C ATOM 615 OE1 GLU A 39 -13.405 -7.879 2.469 1.00 0.00 O ATOM 616 OE2 GLU A 39 -14.397 -5.919 2.542 1.00 0.00 O ATOM 0 H GLU A 39 -9.693 -8.215 0.043 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.010 -6.742 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.218 -7.852 1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.018 -6.588 1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.646 -5.702 3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.160 -5.004 1.778 1.00 0.00 H new ATOM 623 N LEU A 40 -9.292 -4.882 -0.188 1.00 0.00 N ATOM 624 CA LEU A 40 -8.765 -3.549 -0.464 1.00 0.00 C ATOM 625 C LEU A 40 -8.870 -3.219 -1.950 1.00 0.00 C ATOM 626 O LEU A 40 -9.026 -2.059 -2.328 1.00 0.00 O ATOM 627 CB LEU A 40 -7.308 -3.451 -0.010 1.00 0.00 C ATOM 628 CG LEU A 40 -6.973 -4.125 1.321 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.545 -3.808 1.736 1.00 0.00 C ATOM 630 CD2 LEU A 40 -7.953 -3.690 2.401 1.00 0.00 C ATOM 0 H LEU A 40 -8.583 -5.574 0.053 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.362 -2.827 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.677 -3.887 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.041 -2.397 0.062 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.061 -5.204 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.325 -4.296 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.856 -4.170 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.429 -2.730 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.699 -4.180 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.898 -2.609 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.965 -3.970 2.108 1.00 0.00 H new ATOM 642 N ALA A 41 -8.785 -4.248 -2.787 1.00 0.00 N ATOM 643 CA ALA A 41 -8.874 -4.068 -4.230 1.00 0.00 C ATOM 644 C ALA A 41 -10.316 -3.825 -4.665 1.00 0.00 C ATOM 645 O ALA A 41 -10.572 -3.067 -5.600 1.00 0.00 O ATOM 646 CB ALA A 41 -8.301 -5.280 -4.950 1.00 0.00 C ATOM 0 H ALA A 41 -8.655 -5.215 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.288 -3.189 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.374 -5.131 -6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.255 -5.408 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.863 -6.170 -4.668 1.00 0.00 H new ATOM 652 N ALA A 42 -11.253 -4.474 -3.981 1.00 0.00 N ATOM 653 CA ALA A 42 -12.668 -4.327 -4.296 1.00 0.00 C ATOM 654 C ALA A 42 -13.270 -3.128 -3.571 1.00 0.00 C ATOM 655 O ALA A 42 -14.156 -2.454 -4.096 1.00 0.00 O ATOM 656 CB ALA A 42 -13.424 -5.597 -3.937 1.00 0.00 C ATOM 0 H ALA A 42 -11.057 -5.107 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.760 -4.154 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.480 -5.472 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.019 -6.435 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.316 -5.796 -2.871 1.00 0.00 H new ATOM 662 N SER A 43 -12.784 -2.869 -2.361 1.00 0.00 N ATOM 663 CA SER A 43 -13.278 -1.754 -1.562 1.00 0.00 C ATOM 664 C SER A 43 -12.690 -0.433 -2.050 1.00 0.00 C ATOM 665 O SER A 43 -13.416 0.535 -2.281 1.00 0.00 O ATOM 666 CB SER A 43 -12.933 -1.965 -0.086 1.00 0.00 C ATOM 667 OG SER A 43 -13.540 -3.143 0.416 1.00 0.00 O ATOM 0 H SER A 43 -12.049 -3.416 -1.913 1.00 0.00 H new ATOM 0 HA SER A 43 -14.362 -1.712 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.851 -2.031 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.265 -1.105 0.495 1.00 0.00 H new ATOM 0 HG SER A 43 -13.045 -3.927 0.099 1.00 0.00 H new ATOM 673 N LEU A 44 -11.371 -0.401 -2.204 1.00 0.00 N ATOM 674 CA LEU A 44 -10.683 0.800 -2.664 1.00 0.00 C ATOM 675 C LEU A 44 -10.767 0.927 -4.182 1.00 0.00 C ATOM 676 O LEU A 44 -10.385 1.949 -4.751 1.00 0.00 O ATOM 677 CB LEU A 44 -9.219 0.774 -2.223 1.00 0.00 C ATOM 678 CG LEU A 44 -8.964 0.387 -0.766 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.480 0.474 -0.443 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.768 1.277 0.171 1.00 0.00 C ATOM 0 H LEU A 44 -10.756 -1.193 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.175 1.664 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.680 0.076 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.791 1.761 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.287 -0.644 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.317 0.195 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.926 -0.205 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.132 1.494 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.574 0.987 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.476 2.317 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.831 1.165 -0.044 1.00 0.00 H new ATOM 692 N GLY A 45 -11.272 -0.117 -4.832 1.00 0.00 N ATOM 693 CA GLY A 45 -11.399 -0.101 -6.277 1.00 0.00 C ATOM 694 C GLY A 45 -10.079 -0.357 -6.978 1.00 0.00 C ATOM 695 O GLY A 45 -9.903 0.012 -8.140 1.00 0.00 O ATOM 0 H GLY A 45 -11.596 -0.974 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.122 -0.857 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.794 0.865 -6.593 1.00 0.00 H new ATOM 699 N LEU A 46 -9.149 -0.989 -6.271 1.00 0.00 N ATOM 700 CA LEU A 46 -7.837 -1.292 -6.832 1.00 0.00 C ATOM 701 C LEU A 46 -7.736 -2.765 -7.217 1.00 0.00 C ATOM 702 O LEU A 46 -8.689 -3.528 -7.051 1.00 0.00 O ATOM 703 CB LEU A 46 -6.737 -0.940 -5.828 1.00 0.00 C ATOM 704 CG LEU A 46 -6.728 0.503 -5.323 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.174 0.569 -3.908 1.00 0.00 C ATOM 706 CD2 LEU A 46 -5.918 1.390 -6.256 1.00 0.00 C ATOM 0 H LEU A 46 -9.279 -1.301 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.706 -0.690 -7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.831 -1.604 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.772 -1.149 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.755 0.869 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.175 1.604 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.795 -0.034 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.154 0.185 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.923 2.413 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.892 1.026 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.358 1.367 -7.253 1.00 0.00 H new ATOM 718 N THR A 47 -6.575 -3.160 -7.730 1.00 0.00 N ATOM 719 CA THR A 47 -6.349 -4.541 -8.137 1.00 0.00 C ATOM 720 C THR A 47 -5.322 -5.218 -7.237 1.00 0.00 C ATOM 721 O THR A 47 -4.512 -4.552 -6.595 1.00 0.00 O ATOM 722 CB THR A 47 -5.869 -4.624 -9.598 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.858 -5.988 -10.033 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.477 -4.028 -9.745 1.00 0.00 C ATOM 0 H THR A 47 -5.776 -2.542 -7.873 1.00 0.00 H new ATOM 0 HA THR A 47 -7.304 -5.058 -8.046 1.00 0.00 H new ATOM 0 HB THR A 47 -6.559 -4.051 -10.217 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.553 -6.032 -10.963 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.159 -4.098 -10.785 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.495 -2.981 -9.441 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.778 -4.577 -9.114 1.00 0.00 H new ATOM 732 N GLN A 48 -5.363 -6.546 -7.196 1.00 0.00 N ATOM 733 CA GLN A 48 -4.435 -7.313 -6.374 1.00 0.00 C ATOM 734 C GLN A 48 -2.991 -6.932 -6.683 1.00 0.00 C ATOM 735 O GLN A 48 -2.128 -6.959 -5.805 1.00 0.00 O ATOM 736 CB GLN A 48 -4.639 -8.812 -6.601 1.00 0.00 C ATOM 737 CG GLN A 48 -5.972 -9.330 -6.084 1.00 0.00 C ATOM 738 CD GLN A 48 -6.346 -10.673 -6.679 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.479 -11.466 -7.046 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.644 -10.936 -6.777 1.00 0.00 N ATOM 0 H GLN A 48 -6.028 -7.112 -7.722 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.637 -7.080 -5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.566 -9.023 -7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.832 -9.358 -6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.927 -9.418 -4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.753 -8.605 -6.313 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.329 -10.250 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.956 -11.824 -7.169 1.00 0.00 H new ATOM 749 N THR A 49 -2.733 -6.578 -7.938 1.00 0.00 N ATOM 750 CA THR A 49 -1.394 -6.193 -8.364 1.00 0.00 C ATOM 751 C THR A 49 -1.022 -4.814 -7.831 1.00 0.00 C ATOM 752 O THR A 49 0.153 -4.453 -7.784 1.00 0.00 O ATOM 753 CB THR A 49 -1.272 -6.187 -9.900 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.803 -7.403 -10.438 1.00 0.00 O ATOM 755 CG2 THR A 49 0.179 -6.028 -10.327 1.00 0.00 C ATOM 0 H THR A 49 -3.435 -6.550 -8.678 1.00 0.00 H new ATOM 0 HA THR A 49 -0.708 -6.935 -7.955 1.00 0.00 H new ATOM 0 HB THR A 49 -1.842 -5.341 -10.285 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.723 -7.391 -11.415 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.240 -6.027 -11.415 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.571 -5.087 -9.940 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.767 -6.856 -9.932 1.00 0.00 H new ATOM 763 N GLN A 50 -2.032 -4.049 -7.429 1.00 0.00 N ATOM 764 CA GLN A 50 -1.810 -2.709 -6.899 1.00 0.00 C ATOM 765 C GLN A 50 -1.644 -2.743 -5.383 1.00 0.00 C ATOM 766 O GLN A 50 -0.657 -2.242 -4.844 1.00 0.00 O ATOM 767 CB GLN A 50 -2.972 -1.789 -7.276 1.00 0.00 C ATOM 768 CG GLN A 50 -2.877 -1.234 -8.688 1.00 0.00 C ATOM 769 CD GLN A 50 -3.520 0.132 -8.823 1.00 0.00 C ATOM 770 OE1 GLN A 50 -3.402 0.977 -7.936 1.00 0.00 O ATOM 771 NE2 GLN A 50 -4.205 0.355 -9.939 1.00 0.00 N ATOM 0 H GLN A 50 -3.011 -4.334 -7.460 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.891 -2.320 -7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.908 -2.339 -7.173 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.011 -0.959 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.828 -1.168 -8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.356 -1.927 -9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.277 -0.375 -10.648 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.659 1.256 -10.087 1.00 0.00 H new ATOM 780 N VAL A 51 -2.617 -3.338 -4.700 1.00 0.00 N ATOM 781 CA VAL A 51 -2.579 -3.439 -3.246 1.00 0.00 C ATOM 782 C VAL A 51 -1.372 -4.248 -2.783 1.00 0.00 C ATOM 783 O VAL A 51 -0.897 -4.086 -1.658 1.00 0.00 O ATOM 784 CB VAL A 51 -3.861 -4.091 -2.695 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.637 -4.595 -1.277 1.00 0.00 C ATOM 786 CG2 VAL A 51 -5.021 -3.107 -2.743 1.00 0.00 C ATOM 0 H VAL A 51 -3.441 -3.757 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.502 -2.423 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.113 -4.946 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.554 -5.052 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.836 -5.334 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.361 -3.760 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.919 -3.584 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.781 -2.232 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.195 -2.800 -3.774 1.00 0.00 H new ATOM 796 N LYS A 52 -0.879 -5.118 -3.657 1.00 0.00 N ATOM 797 CA LYS A 52 0.275 -5.952 -3.340 1.00 0.00 C ATOM 798 C LYS A 52 1.549 -5.116 -3.277 1.00 0.00 C ATOM 799 O LYS A 52 2.261 -5.127 -2.273 1.00 0.00 O ATOM 800 CB LYS A 52 0.430 -7.061 -4.383 1.00 0.00 C ATOM 801 CG LYS A 52 -0.314 -8.337 -4.029 1.00 0.00 C ATOM 802 CD LYS A 52 0.065 -9.479 -4.957 1.00 0.00 C ATOM 803 CE LYS A 52 -0.839 -9.528 -6.179 1.00 0.00 C ATOM 804 NZ LYS A 52 -0.689 -10.806 -6.929 1.00 0.00 N ATOM 0 H LYS A 52 -1.261 -5.264 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 52 0.109 -6.403 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.071 -6.696 -5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.489 -7.289 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.092 -8.615 -2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.388 -8.161 -4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.101 -9.363 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.001 -10.424 -4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.877 -9.409 -5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.606 -8.691 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.322 -10.800 -7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.296 -10.908 -7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.936 -11.603 -6.309 1.00 0.00 H new ATOM 818 N ILE A 53 1.830 -4.392 -4.355 1.00 0.00 N ATOM 819 CA ILE A 53 3.017 -3.549 -4.421 1.00 0.00 C ATOM 820 C ILE A 53 2.997 -2.485 -3.329 1.00 0.00 C ATOM 821 O ILE A 53 4.028 -2.171 -2.735 1.00 0.00 O ATOM 822 CB ILE A 53 3.143 -2.859 -5.792 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.148 -3.900 -6.913 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.405 -2.011 -5.844 1.00 0.00 C ATOM 825 CD1 ILE A 53 2.920 -3.311 -8.287 1.00 0.00 C ATOM 0 H ILE A 53 1.252 -4.372 -5.195 1.00 0.00 H new ATOM 0 HA ILE A 53 3.876 -4.203 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 53 2.283 -2.205 -5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.103 -4.425 -6.906 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.375 -4.642 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.480 -1.530 -6.819 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.364 -1.249 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.277 -2.646 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.936 -4.107 -9.031 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.952 -2.811 -8.312 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.707 -2.590 -8.509 1.00 0.00 H new ATOM 837 N TRP A 54 1.816 -1.936 -3.068 1.00 0.00 N ATOM 838 CA TRP A 54 1.660 -0.908 -2.046 1.00 0.00 C ATOM 839 C TRP A 54 2.140 -1.412 -0.689 1.00 0.00 C ATOM 840 O TRP A 54 2.873 -0.721 0.018 1.00 0.00 O ATOM 841 CB TRP A 54 0.198 -0.469 -1.953 1.00 0.00 C ATOM 842 CG TRP A 54 -0.007 0.733 -1.081 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.031 2.040 -1.479 1.00 0.00 C ATOM 844 CD2 TRP A 54 -0.215 0.739 0.335 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.241 2.858 -0.395 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.359 2.084 0.730 1.00 0.00 C ATOM 847 CE3 TRP A 54 -0.297 -0.260 1.309 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.577 2.452 2.054 1.00 0.00 C ATOM 849 CZ3 TRP A 54 -0.514 0.107 2.623 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.652 1.453 2.987 1.00 0.00 C ATOM 0 H TRP A 54 0.953 -2.186 -3.550 1.00 0.00 H new ATOM 0 HA TRP A 54 2.271 -0.052 -2.332 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.173 -0.250 -2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.398 -1.295 -1.566 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.096 2.380 -2.496 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.300 3.876 -0.423 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.193 -1.301 1.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.683 3.489 2.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.578 -0.657 3.383 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.821 1.707 4.023 1.00 0.00 H new ATOM 861 N PHE A 55 1.721 -2.621 -0.331 1.00 0.00 N ATOM 862 CA PHE A 55 2.107 -3.218 0.943 1.00 0.00 C ATOM 863 C PHE A 55 3.588 -3.588 0.943 1.00 0.00 C ATOM 864 O PHE A 55 4.277 -3.427 1.950 1.00 0.00 O ATOM 865 CB PHE A 55 1.260 -4.460 1.226 1.00 0.00 C ATOM 866 CG PHE A 55 -0.001 -4.165 1.987 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.045 -3.483 1.384 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.142 -4.571 3.304 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.206 -3.209 2.082 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.301 -4.300 4.007 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.335 -3.620 3.394 1.00 0.00 C ATOM 0 H PHE A 55 1.114 -3.207 -0.905 1.00 0.00 H new ATOM 0 HA PHE A 55 1.934 -2.482 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.001 -4.937 0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.857 -5.176 1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.951 -3.162 0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.663 -5.105 3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.012 -2.674 1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.398 -4.620 5.034 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.243 -3.410 3.940 1.00 0.00 H new ATOM 881 N GLN A 56 4.068 -4.083 -0.193 1.00 0.00 N ATOM 882 CA GLN A 56 5.466 -4.477 -0.324 1.00 0.00 C ATOM 883 C GLN A 56 6.389 -3.277 -0.137 1.00 0.00 C ATOM 884 O GLN A 56 7.221 -3.257 0.769 1.00 0.00 O ATOM 885 CB GLN A 56 5.712 -5.117 -1.691 1.00 0.00 C ATOM 886 CG GLN A 56 7.180 -5.380 -1.984 1.00 0.00 C ATOM 887 CD GLN A 56 7.442 -5.662 -3.450 1.00 0.00 C ATOM 888 OE1 GLN A 56 7.960 -4.812 -4.175 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.083 -6.860 -3.896 1.00 0.00 N ATOM 0 H GLN A 56 3.510 -4.221 -1.036 1.00 0.00 H new ATOM 0 HA GLN A 56 5.686 -5.207 0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.165 -6.058 -1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.306 -4.467 -2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.769 -4.517 -1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.519 -6.228 -1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.657 -7.534 -3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.233 -7.106 -4.874 1.00 0.00 H new ATOM 898 N ASN A 57 6.236 -2.279 -1.001 1.00 0.00 N ATOM 899 CA ASN A 57 7.057 -1.075 -0.932 1.00 0.00 C ATOM 900 C ASN A 57 6.978 -0.442 0.454 1.00 0.00 C ATOM 901 O ASN A 57 7.998 -0.222 1.107 1.00 0.00 O ATOM 902 CB ASN A 57 6.610 -0.066 -1.991 1.00 0.00 C ATOM 903 CG ASN A 57 6.701 -0.626 -3.398 1.00 0.00 C ATOM 904 OD1 ASN A 57 6.710 -1.841 -3.595 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.770 0.260 -4.384 1.00 0.00 N ATOM 0 H ASN A 57 5.551 -2.280 -1.757 1.00 0.00 H new ATOM 0 HA ASN A 57 8.091 -1.359 -1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.583 0.237 -1.789 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.227 0.830 -1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.834 -0.057 -5.351 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.759 1.258 -4.174 1.00 0.00 H new ATOM 912 N LYS A 58 5.760 -0.152 0.898 1.00 0.00 N ATOM 913 CA LYS A 58 5.546 0.453 2.207 1.00 0.00 C ATOM 914 C LYS A 58 6.422 -0.211 3.264 1.00 0.00 C ATOM 915 O LYS A 58 7.167 0.461 3.978 1.00 0.00 O ATOM 916 CB LYS A 58 4.073 0.343 2.608 1.00 0.00 C ATOM 917 CG LYS A 58 3.680 1.276 3.741 1.00 0.00 C ATOM 918 CD LYS A 58 3.592 2.718 3.271 1.00 0.00 C ATOM 919 CE LYS A 58 2.624 2.867 2.107 1.00 0.00 C ATOM 920 NZ LYS A 58 3.305 2.694 0.794 1.00 0.00 N ATOM 0 H LYS A 58 4.905 -0.326 0.370 1.00 0.00 H new ATOM 0 HA LYS A 58 5.821 1.506 2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.451 0.558 1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.861 -0.684 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.719 0.967 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.410 1.199 4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.270 3.352 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.581 3.065 2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.826 2.131 2.202 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.157 3.851 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.227 3.573 0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.309 2.471 0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.855 1.917 0.269 1.00 0.00 H new ATOM 934 N ARG A 59 6.330 -1.533 3.357 1.00 0.00 N ATOM 935 CA ARG A 59 7.115 -2.288 4.326 1.00 0.00 C ATOM 936 C ARG A 59 8.546 -1.762 4.394 1.00 0.00 C ATOM 937 O ARG A 59 9.032 -1.392 5.463 1.00 0.00 O ATOM 938 CB ARG A 59 7.123 -3.773 3.962 1.00 0.00 C ATOM 939 CG ARG A 59 5.973 -4.557 4.573 1.00 0.00 C ATOM 940 CD ARG A 59 6.024 -6.023 4.175 1.00 0.00 C ATOM 941 NE ARG A 59 7.180 -6.706 4.750 1.00 0.00 N ATOM 942 CZ ARG A 59 8.385 -6.707 4.193 1.00 0.00 C ATOM 943 NH1 ARG A 59 8.592 -6.064 3.052 1.00 0.00 N ATOM 944 NH2 ARG A 59 9.387 -7.352 4.777 1.00 0.00 N ATOM 0 H ARG A 59 5.719 -2.104 2.773 1.00 0.00 H new ATOM 0 HA ARG A 59 6.653 -2.164 5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.083 -3.873 2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.065 -4.213 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.010 -4.472 5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.025 -4.125 4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.110 -6.519 4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.059 -6.103 3.088 1.00 0.00 H new ATOM 0 HE ARG A 59 7.054 -7.210 5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.824 -5.567 2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.519 -6.066 2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.232 -7.848 5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.312 -7.352 4.348 1.00 0.00 H new