USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.63) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.13 K(o=0.13,f=-8.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -76:sc= 1.19 USER MOD Single : A 46 GLN : amide:sc= -0.0694 X(o=-0.069,f=-0.069) USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= -0.154 (180deg=-0.78) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.55 K(o=-1.6,f=-2.5!) USER MOD Single : A 63 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-2.5) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0558) USER MOD Single : A 82 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.66) USER MOD Single : A 83 MET CE :methyl -144:sc= -5.22! (180deg=-7.75!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.92 K(o=-1.9,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -2.087 -1.774 7.953 1.00 0.00 N ATOM 152 CA TRP A 14 -0.923 -0.906 8.092 1.00 0.00 C ATOM 153 C TRP A 14 -1.115 0.081 9.238 1.00 0.00 C ATOM 154 O TRP A 14 -0.184 0.353 9.996 1.00 0.00 O ATOM 155 CB TRP A 14 -0.667 -0.149 6.788 1.00 0.00 C ATOM 156 CG TRP A 14 -1.866 0.601 6.291 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.797 0.157 5.396 1.00 0.00 C ATOM 158 CD2 TRP A 14 -2.262 1.926 6.660 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.747 1.126 5.186 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.442 2.221 5.950 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.736 2.892 7.522 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -4.102 3.441 6.077 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.391 4.102 7.647 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.564 4.368 6.928 1.00 0.00 C ATOM 0 HA TRP A 14 -0.059 -1.531 8.316 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.154 0.552 6.938 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.347 -0.856 6.023 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.787 -0.814 4.923 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.550 1.044 4.562 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.833 2.696 8.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.006 3.648 5.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.992 4.856 8.310 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.053 5.323 7.048 1.00 0.00 H new ATOM 175 N GLU A 15 -2.327 0.614 9.359 1.00 0.00 N ATOM 176 CA GLU A 15 -2.638 1.572 10.414 1.00 0.00 C ATOM 177 C GLU A 15 -2.209 1.038 11.777 1.00 0.00 C ATOM 178 O GLU A 15 -1.832 1.804 12.666 1.00 0.00 O ATOM 179 CB GLU A 15 -4.136 1.883 10.424 1.00 0.00 C ATOM 180 CG GLU A 15 -4.670 2.351 9.081 1.00 0.00 C ATOM 181 CD GLU A 15 -6.147 2.055 8.905 1.00 0.00 C ATOM 182 OE1 GLU A 15 -6.619 1.040 9.457 1.00 0.00 O ATOM 183 OE2 GLU A 15 -6.830 2.840 8.214 1.00 0.00 O ATOM 0 H GLU A 15 -3.109 0.399 8.740 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.085 2.489 10.212 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.682 0.991 10.731 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.334 2.651 11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.504 3.424 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.108 1.867 8.282 1.00 0.00 H new ATOM 190 N LEU A 16 -2.269 -0.279 11.936 1.00 0.00 N ATOM 191 CA LEU A 16 -1.887 -0.917 13.191 1.00 0.00 C ATOM 192 C LEU A 16 -0.413 -0.674 13.499 1.00 0.00 C ATOM 193 O LEU A 16 -0.025 -0.542 14.659 1.00 0.00 O ATOM 194 CB LEU A 16 -2.166 -2.420 13.128 1.00 0.00 C ATOM 195 CG LEU A 16 -3.621 -2.823 12.890 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.740 -4.332 12.745 1.00 0.00 C ATOM 197 CD2 LEU A 16 -4.506 -2.322 14.022 1.00 0.00 C ATOM 0 H LEU A 16 -2.579 -0.927 11.211 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.483 -0.476 13.990 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.556 -2.849 12.333 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.834 -2.870 14.063 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.958 -2.362 11.962 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.783 -4.600 12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.138 -4.665 11.899 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.384 -4.814 13.655 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.538 -2.618 13.835 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.170 -2.753 14.965 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.445 -1.235 14.078 1.00 0.00 H new ATOM 209 N GLN A 17 0.403 -0.615 12.451 1.00 0.00 N ATOM 210 CA GLN A 17 1.834 -0.386 12.611 1.00 0.00 C ATOM 211 C GLN A 17 2.139 1.104 12.720 1.00 0.00 C ATOM 212 O GLN A 17 3.036 1.512 13.458 1.00 0.00 O ATOM 213 CB GLN A 17 2.603 -0.991 11.434 1.00 0.00 C ATOM 214 CG GLN A 17 2.406 -2.491 11.285 1.00 0.00 C ATOM 215 CD GLN A 17 3.343 -3.292 12.167 1.00 0.00 C ATOM 216 OE1 GLN A 17 3.040 -3.563 13.330 1.00 0.00 O ATOM 217 NE2 GLN A 17 4.489 -3.678 11.618 1.00 0.00 N ATOM 0 H GLN A 17 0.098 -0.722 11.484 1.00 0.00 H new ATOM 0 HA GLN A 17 2.153 -0.871 13.533 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.289 -0.499 10.514 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.666 -0.783 11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.375 -2.745 11.532 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.563 -2.773 10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.700 -3.432 10.651 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.158 -4.221 12.163 1.00 0.00 H new ATOM 226 N ILE A 18 1.386 1.912 11.981 1.00 0.00 N ATOM 227 CA ILE A 18 1.575 3.358 11.996 1.00 0.00 C ATOM 228 C ILE A 18 0.938 3.983 13.232 1.00 0.00 C ATOM 229 O ILE A 18 -0.181 3.636 13.609 1.00 0.00 O ATOM 230 CB ILE A 18 0.980 4.016 10.737 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.693 5.337 10.441 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.514 4.243 10.914 1.00 0.00 C ATOM 233 CD1 ILE A 18 1.078 6.113 9.298 1.00 0.00 C ATOM 0 H ILE A 18 0.640 1.590 11.365 1.00 0.00 H new ATOM 0 HA ILE A 18 2.650 3.536 12.016 1.00 0.00 H new ATOM 0 HB ILE A 18 1.128 3.346 9.890 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.680 5.956 11.338 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.738 5.132 10.210 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.920 4.709 10.016 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.010 3.287 11.083 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.684 4.896 11.770 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.635 7.038 9.145 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.115 5.512 8.389 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.041 6.349 9.535 1.00 0.00 H new ATOM 245 N SER A 19 1.659 4.907 13.859 1.00 0.00 N ATOM 246 CA SER A 19 1.165 5.580 15.055 1.00 0.00 C ATOM 247 C SER A 19 -0.236 6.138 14.825 1.00 0.00 C ATOM 248 O SER A 19 -0.678 6.329 13.692 1.00 0.00 O ATOM 249 CB SER A 19 2.115 6.708 15.460 1.00 0.00 C ATOM 250 OG SER A 19 3.113 6.240 16.351 1.00 0.00 O ATOM 0 H SER A 19 2.587 5.207 13.559 1.00 0.00 H new ATOM 0 HA SER A 19 1.118 4.847 15.861 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.585 7.128 14.571 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.550 7.512 15.932 1.00 0.00 H new ATOM 0 HG SER A 19 3.708 6.980 16.593 1.00 0.00 H new ATOM 256 N PRO A 20 -0.954 6.406 15.926 1.00 0.00 N ATOM 257 CA PRO A 20 -2.315 6.947 15.872 1.00 0.00 C ATOM 258 C PRO A 20 -2.347 8.390 15.381 1.00 0.00 C ATOM 259 O PRO A 20 -3.256 8.786 14.652 1.00 0.00 O ATOM 260 CB PRO A 20 -2.787 6.866 17.326 1.00 0.00 C ATOM 261 CG PRO A 20 -1.535 6.904 18.133 1.00 0.00 C ATOM 262 CD PRO A 20 -0.490 6.204 17.309 1.00 0.00 C ATOM 0 HA PRO A 20 -2.945 6.396 15.174 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.445 7.699 17.576 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.349 5.950 17.510 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.240 7.931 18.347 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.674 6.406 19.092 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.500 6.632 17.467 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.423 5.145 17.560 1.00 0.00 H new ATOM 270 N GLU A 21 -1.349 9.170 15.784 1.00 0.00 N ATOM 271 CA GLU A 21 -1.265 10.569 15.384 1.00 0.00 C ATOM 272 C GLU A 21 -0.926 10.692 13.901 1.00 0.00 C ATOM 273 O GLU A 21 -1.312 11.659 13.242 1.00 0.00 O ATOM 274 CB GLU A 21 -0.212 11.299 16.221 1.00 0.00 C ATOM 275 CG GLU A 21 -0.585 11.431 17.688 1.00 0.00 C ATOM 276 CD GLU A 21 0.066 12.630 18.350 1.00 0.00 C ATOM 277 OE1 GLU A 21 1.302 12.614 18.524 1.00 0.00 O ATOM 278 OE2 GLU A 21 -0.663 13.585 18.693 1.00 0.00 O ATOM 0 H GLU A 21 -0.588 8.857 16.387 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.238 11.028 15.556 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.736 10.766 16.142 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.054 12.294 15.804 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.668 11.515 17.777 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.291 10.524 18.217 1.00 0.00 H new ATOM 285 N LEU A 22 -0.202 9.706 13.382 1.00 0.00 N ATOM 286 CA LEU A 22 0.190 9.702 11.977 1.00 0.00 C ATOM 287 C LEU A 22 -1.022 9.497 11.074 1.00 0.00 C ATOM 288 O LEU A 22 -1.106 10.074 9.989 1.00 0.00 O ATOM 289 CB LEU A 22 1.224 8.605 11.719 1.00 0.00 C ATOM 290 CG LEU A 22 2.686 8.998 11.929 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.208 9.776 10.731 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.841 9.814 13.205 1.00 0.00 C ATOM 0 H LEU A 22 0.125 8.899 13.913 1.00 0.00 H new ATOM 0 HA LEU A 22 0.632 10.671 11.746 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.999 7.761 12.370 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.106 8.257 10.693 1.00 0.00 H new ATOM 0 HG LEU A 22 3.276 8.087 12.029 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.250 10.047 10.899 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.133 9.159 9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.615 10.681 10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.888 10.085 13.339 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.238 10.719 13.133 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.508 9.223 14.058 1.00 0.00 H new ATOM 304 N LEU A 23 -1.960 8.674 11.530 1.00 0.00 N ATOM 305 CA LEU A 23 -3.170 8.395 10.764 1.00 0.00 C ATOM 306 C LEU A 23 -3.980 9.668 10.541 1.00 0.00 C ATOM 307 O LEU A 23 -4.183 10.095 9.404 1.00 0.00 O ATOM 308 CB LEU A 23 -4.026 7.353 11.488 1.00 0.00 C ATOM 309 CG LEU A 23 -5.410 7.091 10.893 1.00 0.00 C ATOM 310 CD1 LEU A 23 -5.294 6.302 9.598 1.00 0.00 C ATOM 311 CD2 LEU A 23 -6.289 6.353 11.892 1.00 0.00 C ATOM 0 H LEU A 23 -1.906 8.189 12.425 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.872 8.001 9.792 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.477 6.412 11.508 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.152 7.671 12.523 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.875 8.051 10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.289 6.125 9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.702 6.868 8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.808 5.347 9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.270 6.175 11.452 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.828 5.399 12.148 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.400 6.955 12.794 1.00 0.00 H new ATOM 323 N ALA A 24 -4.437 10.272 11.633 1.00 0.00 N ATOM 324 CA ALA A 24 -5.220 11.499 11.556 1.00 0.00 C ATOM 325 C ALA A 24 -4.461 12.589 10.808 1.00 0.00 C ATOM 326 O ALA A 24 -5.020 13.273 9.950 1.00 0.00 O ATOM 327 CB ALA A 24 -5.593 11.975 12.952 1.00 0.00 C ATOM 0 H ALA A 24 -4.278 9.932 12.581 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.133 11.284 11.001 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.178 12.892 12.880 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.183 11.207 13.453 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.686 12.167 13.525 1.00 0.00 H new ATOM 333 N HIS A 25 -3.183 12.747 11.139 1.00 0.00 N ATOM 334 CA HIS A 25 -2.346 13.756 10.498 1.00 0.00 C ATOM 335 C HIS A 25 -2.267 13.519 8.993 1.00 0.00 C ATOM 336 O HIS A 25 -2.515 14.425 8.198 1.00 0.00 O ATOM 337 CB HIS A 25 -0.942 13.743 11.103 1.00 0.00 C ATOM 338 CG HIS A 25 0.087 14.405 10.240 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.124 15.612 9.608 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.342 14.023 9.907 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.956 15.943 8.922 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.861 14.995 9.088 1.00 0.00 N ATOM 0 H HIS A 25 -2.705 12.190 11.847 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.799 14.732 10.671 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.968 14.242 12.072 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.643 12.711 11.284 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.842 13.121 10.226 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.078 16.836 8.327 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.794 14.987 8.675 1.00 0.00 H new ATOM 351 N GLY A 26 -1.919 12.295 8.609 1.00 0.00 N ATOM 352 CA GLY A 26 -1.812 11.961 7.200 1.00 0.00 C ATOM 353 C GLY A 26 -3.128 12.123 6.465 1.00 0.00 C ATOM 354 O GLY A 26 -3.188 12.776 5.423 1.00 0.00 O ATOM 0 H GLY A 26 -1.709 11.528 9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.059 12.597 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.467 10.932 7.099 1.00 0.00 H new ATOM 358 N ARG A 27 -4.184 11.526 7.007 1.00 0.00 N ATOM 359 CA ARG A 27 -5.505 11.605 6.394 1.00 0.00 C ATOM 360 C ARG A 27 -5.835 13.041 5.996 1.00 0.00 C ATOM 361 O ARG A 27 -6.073 13.331 4.824 1.00 0.00 O ATOM 362 CB ARG A 27 -6.569 11.073 7.355 1.00 0.00 C ATOM 363 CG ARG A 27 -6.717 9.560 7.323 1.00 0.00 C ATOM 364 CD ARG A 27 -7.533 9.056 8.503 1.00 0.00 C ATOM 365 NE ARG A 27 -8.961 9.011 8.202 1.00 0.00 N ATOM 366 CZ ARG A 27 -9.536 8.035 7.508 1.00 0.00 C ATOM 367 NH1 ARG A 27 -8.808 7.028 7.047 1.00 0.00 N ATOM 368 NH2 ARG A 27 -10.842 8.065 7.275 1.00 0.00 N ATOM 0 H ARG A 27 -4.151 10.982 7.869 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.498 10.990 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.318 11.384 8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.528 11.529 7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.198 9.260 6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.731 9.096 7.337 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.190 8.060 8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.364 9.704 9.363 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.550 9.771 8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.804 7.001 7.225 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.252 6.280 6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.406 8.838 7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.282 7.315 6.742 1.00 0.00 H new ATOM 382 N GLN A 28 -5.848 13.934 6.981 1.00 0.00 N ATOM 383 CA GLN A 28 -6.150 15.338 6.733 1.00 0.00 C ATOM 384 C GLN A 28 -5.392 15.852 5.513 1.00 0.00 C ATOM 385 O GLN A 28 -5.992 16.347 4.559 1.00 0.00 O ATOM 386 CB GLN A 28 -5.797 16.182 7.959 1.00 0.00 C ATOM 387 CG GLN A 28 -6.474 17.543 7.978 1.00 0.00 C ATOM 388 CD GLN A 28 -7.891 17.482 8.513 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.115 17.131 9.672 1.00 0.00 O ATOM 390 NE2 GLN A 28 -8.858 17.825 7.670 1.00 0.00 N ATOM 0 H GLN A 28 -5.653 13.710 7.957 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.219 15.423 6.536 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.076 15.634 8.859 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.717 16.323 7.994 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.888 18.228 8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.488 17.952 6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.627 18.110 6.718 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.831 17.804 7.974 1.00 0.00 H new ATOM 399 N LYS A 29 -4.070 15.730 5.550 1.00 0.00 N ATOM 400 CA LYS A 29 -3.228 16.181 4.448 1.00 0.00 C ATOM 401 C LYS A 29 -3.819 15.761 3.106 1.00 0.00 C ATOM 402 O LYS A 29 -3.914 16.567 2.180 1.00 0.00 O ATOM 403 CB LYS A 29 -1.814 15.614 4.594 1.00 0.00 C ATOM 404 CG LYS A 29 -0.882 16.504 5.399 1.00 0.00 C ATOM 405 CD LYS A 29 0.564 16.335 4.964 1.00 0.00 C ATOM 406 CE LYS A 29 1.453 17.420 5.553 1.00 0.00 C ATOM 407 NZ LYS A 29 1.501 18.629 4.685 1.00 0.00 N ATOM 0 H LYS A 29 -3.558 15.322 6.332 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.181 17.270 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.871 14.636 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.389 15.460 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.179 17.546 5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.974 16.265 6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.927 15.356 5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.624 16.365 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.083 17.696 6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.462 17.030 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.117 19.345 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.878 18.371 3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.542 19.017 4.577 1.00 0.00 H new ATOM 421 N ILE A 30 -4.216 14.497 3.009 1.00 0.00 N ATOM 422 CA ILE A 30 -4.800 13.972 1.781 1.00 0.00 C ATOM 423 C ILE A 30 -6.157 14.609 1.501 1.00 0.00 C ATOM 424 O ILE A 30 -6.390 15.150 0.420 1.00 0.00 O ATOM 425 CB ILE A 30 -4.967 12.442 1.845 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.609 11.753 1.696 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.929 11.969 0.767 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.636 10.283 2.052 1.00 0.00 C ATOM 0 H ILE A 30 -4.144 13.817 3.766 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.111 14.220 0.974 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.383 12.176 2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.265 11.863 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.882 12.259 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.037 10.886 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.901 12.439 0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.540 12.243 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.640 9.859 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.949 10.166 3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.338 9.764 1.400 1.00 0.00 H new ATOM 440 N LEU A 31 -7.049 14.543 2.484 1.00 0.00 N ATOM 441 CA LEU A 31 -8.383 15.115 2.346 1.00 0.00 C ATOM 442 C LEU A 31 -8.317 16.508 1.728 1.00 0.00 C ATOM 443 O LEU A 31 -8.934 16.770 0.695 1.00 0.00 O ATOM 444 CB LEU A 31 -9.075 15.181 3.708 1.00 0.00 C ATOM 445 CG LEU A 31 -10.539 15.622 3.697 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.419 14.537 3.096 1.00 0.00 C ATOM 447 CD2 LEU A 31 -11.003 15.968 5.105 1.00 0.00 C ATOM 0 H LEU A 31 -6.872 14.099 3.385 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.961 14.471 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.017 14.196 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.515 15.866 4.345 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.624 16.515 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.457 14.869 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.102 14.337 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.329 13.626 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.047 16.280 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.902 15.093 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.392 16.780 5.500 1.00 0.00 H new ATOM 459 N ASP A 32 -7.564 17.397 2.365 1.00 0.00 N ATOM 460 CA ASP A 32 -7.414 18.763 1.877 1.00 0.00 C ATOM 461 C ASP A 32 -7.054 18.773 0.394 1.00 0.00 C ATOM 462 O ASP A 32 -7.440 19.682 -0.343 1.00 0.00 O ATOM 463 CB ASP A 32 -6.341 19.500 2.679 1.00 0.00 C ATOM 464 CG ASP A 32 -6.470 21.006 2.573 1.00 0.00 C ATOM 465 OD1 ASP A 32 -7.571 21.527 2.847 1.00 0.00 O ATOM 466 OD2 ASP A 32 -5.471 21.665 2.215 1.00 0.00 O ATOM 0 H ASP A 32 -7.047 17.196 3.221 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.368 19.275 2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.408 19.206 3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.355 19.197 2.325 1.00 0.00 H new ATOM 471 N LEU A 33 -6.313 17.759 -0.037 1.00 0.00 N ATOM 472 CA LEU A 33 -5.900 17.651 -1.432 1.00 0.00 C ATOM 473 C LEU A 33 -7.056 17.179 -2.307 1.00 0.00 C ATOM 474 O LEU A 33 -7.175 17.579 -3.466 1.00 0.00 O ATOM 475 CB LEU A 33 -4.720 16.686 -1.562 1.00 0.00 C ATOM 476 CG LEU A 33 -4.104 16.564 -2.956 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.193 17.747 -3.242 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.338 15.255 -3.087 1.00 0.00 C ATOM 0 H LEU A 33 -5.985 16.999 0.559 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.592 18.640 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.940 17.001 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.049 15.697 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.910 16.566 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.764 17.643 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.769 18.671 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.392 17.777 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.906 15.185 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.541 15.224 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.017 14.418 -2.926 1.00 0.00 H new ATOM 490 N LEU A 34 -7.908 16.328 -1.745 1.00 0.00 N ATOM 491 CA LEU A 34 -9.058 15.803 -2.474 1.00 0.00 C ATOM 492 C LEU A 34 -10.121 16.881 -2.663 1.00 0.00 C ATOM 493 O LEU A 34 -10.998 16.758 -3.517 1.00 0.00 O ATOM 494 CB LEU A 34 -9.654 14.607 -1.730 1.00 0.00 C ATOM 495 CG LEU A 34 -8.723 13.412 -1.525 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.314 12.442 -0.513 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.457 12.709 -2.848 1.00 0.00 C ATOM 0 H LEU A 34 -7.824 15.987 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.718 15.479 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.997 14.947 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.534 14.267 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.774 13.779 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.637 11.598 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.451 12.951 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.277 12.082 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.792 11.861 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.399 12.355 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.989 13.406 -3.543 1.00 0.00 H new ATOM 509 N ASN A 35 -10.035 17.937 -1.861 1.00 0.00 N ATOM 510 CA ASN A 35 -10.989 19.037 -1.941 1.00 0.00 C ATOM 511 C ASN A 35 -10.379 20.233 -2.667 1.00 0.00 C ATOM 512 O ASN A 35 -10.972 20.772 -3.601 1.00 0.00 O ATOM 513 CB ASN A 35 -11.439 19.452 -0.539 1.00 0.00 C ATOM 514 CG ASN A 35 -12.541 18.561 0.001 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.473 18.201 -0.718 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.438 18.200 1.275 1.00 0.00 N ATOM 0 H ASN A 35 -9.315 18.054 -1.148 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.856 18.694 -2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.585 19.420 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.789 20.484 -0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.149 17.601 1.694 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.648 18.522 1.834 1.00 0.00 H new ATOM 523 N GLU A 36 -9.193 20.642 -2.229 1.00 0.00 N ATOM 524 CA GLU A 36 -8.504 21.775 -2.837 1.00 0.00 C ATOM 525 C GLU A 36 -7.750 21.343 -4.092 1.00 0.00 C ATOM 526 O GLU A 36 -7.687 22.080 -5.075 1.00 0.00 O ATOM 527 CB GLU A 36 -7.533 22.406 -1.837 1.00 0.00 C ATOM 528 CG GLU A 36 -8.148 22.667 -0.473 1.00 0.00 C ATOM 529 CD GLU A 36 -7.244 23.487 0.428 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.022 23.233 0.430 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.759 24.382 1.130 1.00 0.00 O ATOM 0 H GLU A 36 -8.689 20.207 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.253 22.514 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.671 21.750 -1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.164 23.347 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.097 23.188 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.369 21.715 0.010 1.00 0.00 H new ATOM 538 N GLY A 37 -7.179 20.144 -4.049 1.00 0.00 N ATOM 539 CA GLY A 37 -6.436 19.634 -5.187 1.00 0.00 C ATOM 540 C GLY A 37 -7.341 19.208 -6.326 1.00 0.00 C ATOM 541 O GLY A 37 -8.187 18.329 -6.160 1.00 0.00 O ATOM 0 H GLY A 37 -7.217 19.516 -3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.748 20.401 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.831 18.785 -4.871 1.00 0.00 H new ATOM 545 N SER A 38 -7.165 19.833 -7.486 1.00 0.00 N ATOM 546 CA SER A 38 -7.976 19.517 -8.655 1.00 0.00 C ATOM 547 C SER A 38 -7.469 18.252 -9.343 1.00 0.00 C ATOM 548 O SER A 38 -6.471 17.664 -8.927 1.00 0.00 O ATOM 549 CB SER A 38 -7.964 20.686 -9.642 1.00 0.00 C ATOM 550 OG SER A 38 -8.582 21.832 -9.081 1.00 0.00 O ATOM 0 H SER A 38 -6.468 20.561 -7.641 1.00 0.00 H new ATOM 0 HA SER A 38 -8.999 19.343 -8.320 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.937 20.922 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.483 20.400 -10.557 1.00 0.00 H new ATOM 0 HG SER A 38 -8.560 22.566 -9.730 1.00 0.00 H new ATOM 556 N ALA A 39 -8.165 17.840 -10.397 1.00 0.00 N ATOM 557 CA ALA A 39 -7.786 16.647 -11.144 1.00 0.00 C ATOM 558 C ALA A 39 -6.270 16.516 -11.235 1.00 0.00 C ATOM 559 O ALA A 39 -5.691 15.540 -10.756 1.00 0.00 O ATOM 560 CB ALA A 39 -8.400 16.678 -12.536 1.00 0.00 C ATOM 0 H ALA A 39 -8.995 18.315 -10.753 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.169 15.777 -10.610 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.108 15.781 -13.082 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.486 16.716 -12.454 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.046 17.559 -13.070 1.00 0.00 H new ATOM 566 N ARG A 40 -5.631 17.504 -11.855 1.00 0.00 N ATOM 567 CA ARG A 40 -4.182 17.497 -12.011 1.00 0.00 C ATOM 568 C ARG A 40 -3.493 17.221 -10.677 1.00 0.00 C ATOM 569 O ARG A 40 -2.829 16.198 -10.510 1.00 0.00 O ATOM 570 CB ARG A 40 -3.702 18.834 -12.578 1.00 0.00 C ATOM 571 CG ARG A 40 -2.363 18.748 -13.292 1.00 0.00 C ATOM 572 CD ARG A 40 -1.207 18.707 -12.305 1.00 0.00 C ATOM 573 NE ARG A 40 0.007 19.298 -12.860 1.00 0.00 N ATOM 574 CZ ARG A 40 1.120 19.485 -12.160 1.00 0.00 C ATOM 575 NH1 ARG A 40 1.172 19.128 -10.884 1.00 0.00 N ATOM 576 NH2 ARG A 40 2.185 20.029 -12.735 1.00 0.00 N ATOM 0 H ARG A 40 -6.095 18.319 -12.257 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.921 16.700 -12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.451 19.214 -13.273 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.625 19.557 -11.766 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.340 17.856 -13.918 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.247 19.606 -13.955 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.487 19.240 -11.396 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.010 17.673 -12.020 1.00 0.00 H new ATOM 0 HE ARG A 40 0.000 19.583 -13.839 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.356 18.709 -10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.028 19.273 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.150 20.304 -13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.039 20.172 -12.196 1.00 0.00 H new ATOM 590 N ASP A 41 -3.655 18.141 -9.732 1.00 0.00 N ATOM 591 CA ASP A 41 -3.049 17.997 -8.414 1.00 0.00 C ATOM 592 C ASP A 41 -3.108 16.547 -7.944 1.00 0.00 C ATOM 593 O ASP A 41 -2.102 15.981 -7.514 1.00 0.00 O ATOM 594 CB ASP A 41 -3.755 18.902 -7.403 1.00 0.00 C ATOM 595 CG ASP A 41 -3.259 20.333 -7.462 1.00 0.00 C ATOM 596 OD1 ASP A 41 -2.948 20.809 -8.575 1.00 0.00 O ATOM 597 OD2 ASP A 41 -3.182 20.979 -6.396 1.00 0.00 O ATOM 0 H ASP A 41 -4.201 18.994 -9.855 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.003 18.294 -8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.828 18.885 -7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.601 18.508 -6.398 1.00 0.00 H new ATOM 602 N LEU A 42 -4.292 15.951 -8.027 1.00 0.00 N ATOM 603 CA LEU A 42 -4.483 14.566 -7.610 1.00 0.00 C ATOM 604 C LEU A 42 -3.498 13.643 -8.319 1.00 0.00 C ATOM 605 O LEU A 42 -2.817 12.839 -7.682 1.00 0.00 O ATOM 606 CB LEU A 42 -5.917 14.119 -7.898 1.00 0.00 C ATOM 607 CG LEU A 42 -7.021 14.904 -7.189 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.391 14.456 -7.674 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.907 14.741 -5.680 1.00 0.00 C ATOM 0 H LEU A 42 -5.135 16.405 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.299 14.507 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.087 14.182 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.011 13.069 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.901 15.960 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.164 15.026 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.470 14.626 -8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.522 13.394 -7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.701 15.307 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.000 13.687 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.938 15.113 -5.346 1.00 0.00 H new ATOM 621 N ARG A 43 -3.426 13.765 -9.641 1.00 0.00 N ATOM 622 CA ARG A 43 -2.523 12.943 -10.436 1.00 0.00 C ATOM 623 C ARG A 43 -1.128 12.915 -9.820 1.00 0.00 C ATOM 624 O ARG A 43 -0.381 11.952 -9.994 1.00 0.00 O ATOM 625 CB ARG A 43 -2.449 13.470 -11.870 1.00 0.00 C ATOM 626 CG ARG A 43 -3.806 13.606 -12.541 1.00 0.00 C ATOM 627 CD ARG A 43 -3.668 13.815 -14.041 1.00 0.00 C ATOM 628 NE ARG A 43 -2.688 14.849 -14.361 1.00 0.00 N ATOM 629 CZ ARG A 43 -2.531 15.361 -15.577 1.00 0.00 C ATOM 630 NH1 ARG A 43 -3.287 14.938 -16.581 1.00 0.00 N ATOM 631 NH2 ARG A 43 -1.617 16.299 -15.790 1.00 0.00 N ATOM 0 H ARG A 43 -3.983 14.426 -10.183 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.915 11.926 -10.450 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.957 14.442 -11.865 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.826 12.800 -12.462 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.399 12.711 -12.350 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.347 14.445 -12.104 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.373 12.877 -14.512 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.636 14.091 -14.459 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.092 15.197 -13.610 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.991 14.218 -16.421 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.164 15.333 -17.513 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.034 16.627 -15.020 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.497 16.692 -16.724 1.00 0.00 H new ATOM 645 N SER A 44 -0.783 13.978 -9.101 1.00 0.00 N ATOM 646 CA SER A 44 0.525 14.077 -8.462 1.00 0.00 C ATOM 647 C SER A 44 0.732 12.938 -7.468 1.00 0.00 C ATOM 648 O SER A 44 1.814 12.355 -7.391 1.00 0.00 O ATOM 649 CB SER A 44 0.667 15.423 -7.750 1.00 0.00 C ATOM 650 OG SER A 44 0.066 15.387 -6.467 1.00 0.00 O ATOM 0 H SER A 44 -1.390 14.783 -8.946 1.00 0.00 H new ATOM 0 HA SER A 44 1.288 14.002 -9.237 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.722 15.677 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.204 16.206 -8.350 1.00 0.00 H new ATOM 0 HG SER A 44 -0.908 15.441 -6.560 1.00 0.00 H new ATOM 656 N LEU A 45 -0.313 12.627 -6.709 1.00 0.00 N ATOM 657 CA LEU A 45 -0.248 11.558 -5.719 1.00 0.00 C ATOM 658 C LEU A 45 0.365 10.296 -6.319 1.00 0.00 C ATOM 659 O LEU A 45 0.587 10.218 -7.526 1.00 0.00 O ATOM 660 CB LEU A 45 -1.645 11.252 -5.176 1.00 0.00 C ATOM 661 CG LEU A 45 -2.244 12.300 -4.237 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.650 11.899 -3.818 1.00 0.00 C ATOM 663 CD2 LEU A 45 -1.356 12.492 -3.016 1.00 0.00 C ATOM 0 H LEU A 45 -1.215 13.100 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 45 0.387 11.894 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.321 11.122 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.607 10.299 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.302 13.248 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.061 12.656 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.282 11.813 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.616 10.940 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.798 13.241 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.265 11.547 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.368 12.825 -3.333 1.00 0.00 H new ATOM 675 N GLN A 46 0.632 9.312 -5.467 1.00 0.00 N ATOM 676 CA GLN A 46 1.217 8.053 -5.914 1.00 0.00 C ATOM 677 C GLN A 46 0.158 7.155 -6.546 1.00 0.00 C ATOM 678 O GLN A 46 0.137 6.965 -7.762 1.00 0.00 O ATOM 679 CB GLN A 46 1.883 7.331 -4.742 1.00 0.00 C ATOM 680 CG GLN A 46 3.079 8.074 -4.169 1.00 0.00 C ATOM 681 CD GLN A 46 4.247 8.131 -5.133 1.00 0.00 C ATOM 682 OE1 GLN A 46 4.443 9.127 -5.831 1.00 0.00 O ATOM 683 NE2 GLN A 46 5.031 7.061 -5.178 1.00 0.00 N ATOM 0 H GLN A 46 0.453 9.362 -4.464 1.00 0.00 H new ATOM 0 HA GLN A 46 1.972 8.279 -6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.146 7.182 -3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.203 6.342 -5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.780 9.089 -3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.397 7.587 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.832 6.257 -4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.833 7.042 -5.808 1.00 0.00 H new ATOM 692 N ARG A 47 -0.718 6.605 -5.712 1.00 0.00 N ATOM 693 CA ARG A 47 -1.778 5.726 -6.188 1.00 0.00 C ATOM 694 C ARG A 47 -2.921 6.532 -6.797 1.00 0.00 C ATOM 695 O ARG A 47 -4.086 6.339 -6.447 1.00 0.00 O ATOM 696 CB ARG A 47 -2.305 4.859 -5.043 1.00 0.00 C ATOM 697 CG ARG A 47 -1.212 4.320 -4.135 1.00 0.00 C ATOM 698 CD ARG A 47 -0.363 3.276 -4.844 1.00 0.00 C ATOM 699 NE ARG A 47 0.697 2.757 -3.984 1.00 0.00 N ATOM 700 CZ ARG A 47 1.491 1.748 -4.325 1.00 0.00 C ATOM 701 NH1 ARG A 47 1.346 1.153 -5.501 1.00 0.00 N ATOM 702 NH2 ARG A 47 2.434 1.332 -3.488 1.00 0.00 N ATOM 0 H ARG A 47 -0.714 6.753 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.360 5.081 -6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.005 5.445 -4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.865 4.022 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.577 5.141 -3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.661 3.881 -3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.999 2.454 -5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.078 3.715 -5.739 1.00 0.00 H new ATOM 0 HE ARG A 47 0.835 3.193 -3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.623 1.470 -6.147 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.957 0.379 -5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.549 1.787 -2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.043 0.557 -3.750 1.00 0.00 H new ATOM 716 N ILE A 48 -2.580 7.437 -7.709 1.00 0.00 N ATOM 717 CA ILE A 48 -3.578 8.272 -8.366 1.00 0.00 C ATOM 718 C ILE A 48 -3.152 8.620 -9.788 1.00 0.00 C ATOM 719 O ILE A 48 -1.979 8.879 -10.051 1.00 0.00 O ATOM 720 CB ILE A 48 -3.825 9.575 -7.583 1.00 0.00 C ATOM 721 CG1 ILE A 48 -4.093 9.267 -6.108 1.00 0.00 C ATOM 722 CG2 ILE A 48 -4.990 10.344 -8.189 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.403 8.550 -5.869 1.00 0.00 C ATOM 0 H ILE A 48 -1.621 7.610 -8.009 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.502 7.695 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.931 10.196 -7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.278 8.657 -5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.090 10.200 -5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.152 11.262 -7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.763 10.591 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.890 9.731 -8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.527 8.364 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.226 9.168 -6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.401 7.601 -6.405 1.00 0.00 H new ATOM 735 N GLY A 49 -4.117 8.625 -10.704 1.00 0.00 N ATOM 736 CA GLY A 49 -3.823 8.944 -12.089 1.00 0.00 C ATOM 737 C GLY A 49 -4.821 9.917 -12.684 1.00 0.00 C ATOM 738 O GLY A 49 -5.654 10.492 -11.983 1.00 0.00 O ATOM 0 H GLY A 49 -5.096 8.414 -10.511 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.822 9.369 -12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.820 8.026 -12.677 1.00 0.00 H new ATOM 742 N PRO A 50 -4.744 10.114 -14.009 1.00 0.00 N ATOM 743 CA PRO A 50 -5.640 11.025 -14.727 1.00 0.00 C ATOM 744 C PRO A 50 -7.070 10.501 -14.790 1.00 0.00 C ATOM 745 O PRO A 50 -8.002 11.246 -15.095 1.00 0.00 O ATOM 746 CB PRO A 50 -5.031 11.088 -16.130 1.00 0.00 C ATOM 747 CG PRO A 50 -4.288 9.805 -16.279 1.00 0.00 C ATOM 748 CD PRO A 50 -3.776 9.463 -14.907 1.00 0.00 C ATOM 0 HA PRO A 50 -5.715 11.995 -14.236 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.803 11.189 -16.893 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.366 11.945 -16.235 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.939 9.018 -16.660 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.466 9.910 -16.988 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.742 8.385 -14.748 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.765 9.840 -14.750 1.00 0.00 H new ATOM 756 N LYS A 51 -7.238 9.216 -14.500 1.00 0.00 N ATOM 757 CA LYS A 51 -8.555 8.591 -14.521 1.00 0.00 C ATOM 758 C LYS A 51 -9.296 8.838 -13.211 1.00 0.00 C ATOM 759 O LYS A 51 -10.386 9.411 -13.200 1.00 0.00 O ATOM 760 CB LYS A 51 -8.426 7.087 -14.770 1.00 0.00 C ATOM 761 CG LYS A 51 -9.646 6.473 -15.435 1.00 0.00 C ATOM 762 CD LYS A 51 -10.719 6.125 -14.417 1.00 0.00 C ATOM 763 CE LYS A 51 -10.404 4.822 -13.698 1.00 0.00 C ATOM 764 NZ LYS A 51 -10.316 3.675 -14.644 1.00 0.00 N ATOM 0 H LYS A 51 -6.477 8.586 -14.247 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.128 9.039 -15.333 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.552 6.904 -15.395 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.249 6.584 -13.819 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.051 7.170 -16.169 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.352 5.574 -15.977 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.806 6.931 -13.689 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.684 6.041 -14.918 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.461 4.923 -13.160 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.175 4.622 -12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.540 2.793 -14.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.994 3.813 -15.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.353 3.618 -15.031 1.00 0.00 H new ATOM 778 N LYS A 52 -8.697 8.404 -12.107 1.00 0.00 N ATOM 779 CA LYS A 52 -9.298 8.580 -10.790 1.00 0.00 C ATOM 780 C LYS A 52 -9.520 10.058 -10.487 1.00 0.00 C ATOM 781 O LYS A 52 -10.590 10.452 -10.023 1.00 0.00 O ATOM 782 CB LYS A 52 -8.407 7.955 -9.713 1.00 0.00 C ATOM 783 CG LYS A 52 -8.689 6.483 -9.470 1.00 0.00 C ATOM 784 CD LYS A 52 -7.865 5.941 -8.314 1.00 0.00 C ATOM 785 CE LYS A 52 -6.396 5.813 -8.689 1.00 0.00 C ATOM 786 NZ LYS A 52 -6.134 4.589 -9.495 1.00 0.00 N ATOM 0 H LYS A 52 -7.795 7.928 -12.098 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.265 8.078 -10.789 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.363 8.073 -10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.542 8.501 -8.779 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.749 6.345 -9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.468 5.915 -10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.966 6.602 -7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.252 4.967 -8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.087 6.693 -9.254 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.791 5.788 -7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.122 4.538 -9.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.405 3.748 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.692 4.625 -10.372 1.00 0.00 H new ATOM 800 N ALA A 53 -8.503 10.871 -10.752 1.00 0.00 N ATOM 801 CA ALA A 53 -8.589 12.306 -10.510 1.00 0.00 C ATOM 802 C ALA A 53 -9.972 12.841 -10.868 1.00 0.00 C ATOM 803 O ALA A 53 -10.666 13.404 -10.022 1.00 0.00 O ATOM 804 CB ALA A 53 -7.517 13.040 -11.302 1.00 0.00 C ATOM 0 H ALA A 53 -7.610 10.560 -11.134 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.424 12.481 -9.447 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.593 14.111 -11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.532 12.686 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.657 12.850 -12.366 1.00 0.00 H new ATOM 810 N GLN A 54 -10.364 12.661 -12.125 1.00 0.00 N ATOM 811 CA GLN A 54 -11.664 13.128 -12.593 1.00 0.00 C ATOM 812 C GLN A 54 -12.793 12.495 -11.785 1.00 0.00 C ATOM 813 O GLN A 54 -13.705 13.184 -11.327 1.00 0.00 O ATOM 814 CB GLN A 54 -11.841 12.805 -14.078 1.00 0.00 C ATOM 815 CG GLN A 54 -10.861 13.538 -14.980 1.00 0.00 C ATOM 816 CD GLN A 54 -10.831 15.031 -14.719 1.00 0.00 C ATOM 817 OE1 GLN A 54 -11.788 15.600 -14.191 1.00 0.00 O ATOM 818 NE2 GLN A 54 -9.730 15.675 -15.087 1.00 0.00 N ATOM 0 H GLN A 54 -9.801 12.196 -12.837 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.705 14.209 -12.456 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.724 11.731 -14.224 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.858 13.058 -14.378 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.862 13.127 -14.834 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.129 13.361 -16.021 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.961 15.164 -15.521 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.653 16.681 -14.936 1.00 0.00 H new ATOM 827 N LEU A 55 -12.726 11.179 -11.615 1.00 0.00 N ATOM 828 CA LEU A 55 -13.742 10.452 -10.863 1.00 0.00 C ATOM 829 C LEU A 55 -14.006 11.120 -9.517 1.00 0.00 C ATOM 830 O LEU A 55 -15.141 11.153 -9.041 1.00 0.00 O ATOM 831 CB LEU A 55 -13.306 9.002 -10.648 1.00 0.00 C ATOM 832 CG LEU A 55 -13.176 8.146 -11.909 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.831 6.710 -11.546 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.461 8.198 -12.723 1.00 0.00 C ATOM 0 H LEU A 55 -11.978 10.594 -11.988 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.665 10.465 -11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.345 9.005 -10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.022 8.523 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.367 8.550 -12.518 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.743 6.116 -12.456 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.885 6.689 -11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.618 6.295 -10.917 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.351 7.584 -13.617 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.288 7.820 -12.122 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.666 9.228 -13.014 1.00 0.00 H new ATOM 846 N ILE A 56 -12.951 11.654 -8.911 1.00 0.00 N ATOM 847 CA ILE A 56 -13.069 12.325 -7.622 1.00 0.00 C ATOM 848 C ILE A 56 -13.519 13.771 -7.795 1.00 0.00 C ATOM 849 O ILE A 56 -14.220 14.321 -6.944 1.00 0.00 O ATOM 850 CB ILE A 56 -11.736 12.302 -6.851 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.267 10.861 -6.643 1.00 0.00 C ATOM 852 CG2 ILE A 56 -11.885 13.014 -5.515 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.762 10.720 -6.570 1.00 0.00 C ATOM 0 H ILE A 56 -12.005 11.635 -9.292 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.819 11.780 -7.049 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.984 12.828 -7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.705 10.474 -5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.643 10.244 -7.459 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.935 12.989 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.179 14.050 -5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.648 12.514 -4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.502 9.672 -6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.318 11.076 -7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.381 11.310 -5.736 1.00 0.00 H new ATOM 865 N VAL A 57 -13.114 14.384 -8.903 1.00 0.00 N ATOM 866 CA VAL A 57 -13.478 15.766 -9.189 1.00 0.00 C ATOM 867 C VAL A 57 -14.943 15.875 -9.597 1.00 0.00 C ATOM 868 O VAL A 57 -15.568 16.922 -9.431 1.00 0.00 O ATOM 869 CB VAL A 57 -12.600 16.357 -10.308 1.00 0.00 C ATOM 870 CG1 VAL A 57 -13.023 17.784 -10.622 1.00 0.00 C ATOM 871 CG2 VAL A 57 -11.131 16.303 -9.916 1.00 0.00 C ATOM 0 H VAL A 57 -12.533 13.945 -9.617 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.316 16.333 -8.272 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.736 15.757 -11.208 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.391 18.185 -11.415 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.063 17.792 -10.948 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.918 18.400 -9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.525 16.724 -10.718 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.977 16.879 -9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.838 15.267 -9.746 1.00 0.00 H new ATOM 881 N GLY A 58 -15.486 14.786 -10.132 1.00 0.00 N ATOM 882 CA GLY A 58 -16.874 14.780 -10.556 1.00 0.00 C ATOM 883 C GLY A 58 -17.834 14.630 -9.392 1.00 0.00 C ATOM 884 O GLY A 58 -18.843 15.331 -9.318 1.00 0.00 O ATOM 0 H GLY A 58 -14.989 13.907 -10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -17.093 15.707 -11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -17.032 13.964 -11.261 1.00 0.00 H new ATOM 888 N TRP A 59 -17.521 13.714 -8.484 1.00 0.00 N ATOM 889 CA TRP A 59 -18.365 13.473 -7.319 1.00 0.00 C ATOM 890 C TRP A 59 -18.362 14.679 -6.385 1.00 0.00 C ATOM 891 O TRP A 59 -19.417 15.205 -6.033 1.00 0.00 O ATOM 892 CB TRP A 59 -17.889 12.229 -6.567 1.00 0.00 C ATOM 893 CG TRP A 59 -18.935 11.642 -5.668 1.00 0.00 C ATOM 894 CD1 TRP A 59 -19.268 12.066 -4.413 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.782 10.524 -5.954 1.00 0.00 C ATOM 896 NE1 TRP A 59 -20.271 11.278 -3.902 1.00 0.00 N ATOM 897 CE2 TRP A 59 -20.604 10.325 -4.828 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.926 9.672 -7.052 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -21.555 9.310 -4.771 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.870 8.664 -6.994 1.00 0.00 C ATOM 901 CH2 TRP A 59 -21.675 8.491 -5.860 1.00 0.00 C ATOM 0 H TRP A 59 -16.689 13.126 -8.531 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.385 13.310 -7.668 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.576 11.475 -7.289 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -17.012 12.486 -5.973 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.810 12.898 -3.898 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -20.698 11.385 -2.982 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -19.311 9.799 -7.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -22.176 9.174 -3.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.989 7.999 -7.836 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.405 7.695 -5.846 1.00 0.00 H new ATOM 912 N ARG A 60 -17.169 15.112 -5.989 1.00 0.00 N ATOM 913 CA ARG A 60 -17.030 16.255 -5.096 1.00 0.00 C ATOM 914 C ARG A 60 -17.816 17.453 -5.620 1.00 0.00 C ATOM 915 O ARG A 60 -18.341 18.251 -4.843 1.00 0.00 O ATOM 916 CB ARG A 60 -15.555 16.629 -4.938 1.00 0.00 C ATOM 917 CG ARG A 60 -15.028 17.515 -6.055 1.00 0.00 C ATOM 918 CD ARG A 60 -13.634 18.035 -5.742 1.00 0.00 C ATOM 919 NE ARG A 60 -13.297 19.211 -6.541 1.00 0.00 N ATOM 920 CZ ARG A 60 -13.871 20.398 -6.379 1.00 0.00 C ATOM 921 NH1 ARG A 60 -14.805 20.566 -5.453 1.00 0.00 N ATOM 922 NH2 ARG A 60 -13.511 21.420 -7.144 1.00 0.00 N ATOM 0 H ARG A 60 -16.286 14.688 -6.273 1.00 0.00 H new ATOM 0 HA ARG A 60 -17.433 15.975 -4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -15.419 17.140 -3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.960 15.717 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -15.007 16.952 -6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.706 18.355 -6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.570 18.285 -4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.903 17.248 -5.929 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.582 19.115 -7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.085 19.783 -4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.244 21.479 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.793 21.295 -7.857 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.952 22.331 -7.019 1.00 0.00 H new ATOM 936 N GLU A 61 -17.892 17.573 -6.941 1.00 0.00 N ATOM 937 CA GLU A 61 -18.613 18.675 -7.568 1.00 0.00 C ATOM 938 C GLU A 61 -20.118 18.424 -7.544 1.00 0.00 C ATOM 939 O GLU A 61 -20.915 19.362 -7.516 1.00 0.00 O ATOM 940 CB GLU A 61 -18.140 18.869 -9.010 1.00 0.00 C ATOM 941 CG GLU A 61 -16.876 19.705 -9.129 1.00 0.00 C ATOM 942 CD GLU A 61 -16.812 20.482 -10.429 1.00 0.00 C ATOM 943 OE1 GLU A 61 -17.802 21.167 -10.762 1.00 0.00 O ATOM 944 OE2 GLU A 61 -15.770 20.406 -11.114 1.00 0.00 O ATOM 0 H GLU A 61 -17.463 16.921 -7.598 1.00 0.00 H new ATOM 0 HA GLU A 61 -18.404 19.582 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.963 17.892 -9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.936 19.345 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.824 20.400 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.005 19.053 -9.056 1.00 0.00 H new ATOM 951 N LEU A 62 -20.499 17.151 -7.557 1.00 0.00 N ATOM 952 CA LEU A 62 -21.909 16.775 -7.538 1.00 0.00 C ATOM 953 C LEU A 62 -22.569 17.203 -6.231 1.00 0.00 C ATOM 954 O LEU A 62 -23.509 17.997 -6.229 1.00 0.00 O ATOM 955 CB LEU A 62 -22.056 15.264 -7.726 1.00 0.00 C ATOM 956 CG LEU A 62 -21.921 14.750 -9.160 1.00 0.00 C ATOM 957 CD1 LEU A 62 -21.618 13.260 -9.167 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.188 15.042 -9.952 1.00 0.00 C ATOM 0 H LEU A 62 -19.852 16.363 -7.581 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.408 17.288 -8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.306 14.767 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.032 14.964 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.090 15.271 -9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -21.525 12.912 -10.196 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -20.684 13.076 -8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -22.427 12.722 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.075 14.670 -10.970 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.036 14.548 -9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -23.362 16.118 -9.976 1.00 0.00 H new ATOM 970 N HIS A 63 -22.068 16.672 -5.119 1.00 0.00 N ATOM 971 CA HIS A 63 -22.607 17.001 -3.805 1.00 0.00 C ATOM 972 C HIS A 63 -21.808 18.127 -3.156 1.00 0.00 C ATOM 973 O HIS A 63 -22.376 19.038 -2.556 1.00 0.00 O ATOM 974 CB HIS A 63 -22.596 15.767 -2.902 1.00 0.00 C ATOM 975 CG HIS A 63 -21.229 15.391 -2.419 1.00 0.00 C ATOM 976 ND1 HIS A 63 -20.800 15.613 -1.127 1.00 0.00 N ATOM 977 CD2 HIS A 63 -20.193 14.803 -3.062 1.00 0.00 C ATOM 978 CE1 HIS A 63 -19.558 15.180 -0.998 1.00 0.00 C ATOM 979 NE2 HIS A 63 -19.167 14.683 -2.157 1.00 0.00 N ATOM 0 H HIS A 63 -21.290 16.013 -5.103 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.635 17.337 -3.936 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -23.239 15.951 -2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -23.025 14.925 -3.446 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -20.176 14.487 -4.095 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -18.964 15.225 -0.097 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -18.252 14.276 -2.349 1.00 0.00 H new ATOM 988 N GLY A 64 -20.486 18.058 -3.282 1.00 0.00 N ATOM 989 CA GLY A 64 -19.631 19.077 -2.703 1.00 0.00 C ATOM 990 C GLY A 64 -18.341 18.506 -2.149 1.00 0.00 C ATOM 991 O GLY A 64 -17.885 17.437 -2.556 1.00 0.00 O ATOM 0 H GLY A 64 -19.992 17.314 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.398 19.825 -3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.170 19.589 -1.906 1.00 0.00 H new ATOM 995 N PRO A 65 -17.730 19.227 -1.197 1.00 0.00 N ATOM 996 CA PRO A 65 -16.476 18.806 -0.567 1.00 0.00 C ATOM 997 C PRO A 65 -16.660 17.591 0.336 1.00 0.00 C ATOM 998 O PRO A 65 -17.660 17.478 1.045 1.00 0.00 O ATOM 999 CB PRO A 65 -16.065 20.028 0.258 1.00 0.00 C ATOM 1000 CG PRO A 65 -17.342 20.743 0.537 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.217 20.510 -0.664 1.00 0.00 C ATOM 0 HA PRO A 65 -15.732 18.502 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.566 19.733 1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.369 20.661 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -17.813 20.362 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.167 21.808 0.692 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.271 20.457 -0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.118 21.312 -1.395 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.690 16.683 0.305 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.746 15.476 1.120 1.00 0.00 C ATOM 1011 C PHE A 66 -15.484 15.799 2.589 1.00 0.00 C ATOM 1012 O PHE A 66 -14.548 16.527 2.917 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.725 14.450 0.622 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.814 14.185 -0.854 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -15.959 13.633 -1.404 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -13.752 14.489 -1.691 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -16.043 13.388 -2.762 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -13.830 14.246 -3.049 1.00 0.00 C ATOM 1019 CZ PHE A 66 -14.977 13.695 -3.585 1.00 0.00 C ATOM 0 H PHE A 66 -14.855 16.761 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.747 15.054 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.721 14.803 0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.870 13.514 1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.795 13.391 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -12.853 14.921 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.941 12.957 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -12.995 14.487 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.041 13.504 -4.646 1.00 0.00 H new ATOM 1029 N SER A 67 -16.318 15.251 3.467 1.00 0.00 N ATOM 1030 CA SER A 67 -16.180 15.484 4.900 1.00 0.00 C ATOM 1031 C SER A 67 -15.126 14.559 5.501 1.00 0.00 C ATOM 1032 O SER A 67 -14.671 14.768 6.625 1.00 0.00 O ATOM 1033 CB SER A 67 -17.522 15.272 5.603 1.00 0.00 C ATOM 1034 OG SER A 67 -18.392 16.369 5.383 1.00 0.00 O ATOM 0 H SER A 67 -17.096 14.643 3.211 1.00 0.00 H new ATOM 0 HA SER A 67 -15.860 16.515 5.047 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.987 14.356 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.359 15.142 6.673 1.00 0.00 H new ATOM 0 HG SER A 67 -19.243 16.208 5.841 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.744 13.536 4.743 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.744 12.579 5.201 1.00 0.00 C ATOM 1042 C GLN A 68 -13.181 11.778 4.032 1.00 0.00 C ATOM 1043 O GLN A 68 -13.901 11.445 3.090 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.351 11.632 6.238 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.435 10.727 5.674 1.00 0.00 C ATOM 1046 CD GLN A 68 -16.346 10.168 6.749 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -17.305 10.817 7.167 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -16.050 8.956 7.205 1.00 0.00 N ATOM 0 H GLN A 68 -15.111 13.349 3.810 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.929 13.137 5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.559 11.015 6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.769 12.220 7.055 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.031 11.286 4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.970 9.903 5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.246 8.453 6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.627 8.529 7.929 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.889 11.471 4.098 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.230 10.708 3.045 1.00 0.00 C ATOM 1059 C VAL A 69 -12.016 9.448 2.705 1.00 0.00 C ATOM 1060 O VAL A 69 -12.176 9.102 1.535 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.798 10.313 3.451 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.115 9.549 2.327 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -8.993 11.546 3.835 1.00 0.00 C ATOM 0 H VAL A 69 -11.278 11.739 4.870 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.186 11.353 2.167 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.854 9.659 4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.104 9.279 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.681 8.644 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.069 10.176 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.984 11.248 4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.944 12.228 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.473 12.047 4.676 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.505 8.765 3.735 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.275 7.542 3.545 1.00 0.00 C ATOM 1075 C GLU A 70 -14.310 7.718 2.437 1.00 0.00 C ATOM 1076 O GLU A 70 -14.725 6.748 1.801 1.00 0.00 O ATOM 1077 CB GLU A 70 -13.970 7.142 4.848 1.00 0.00 C ATOM 1078 CG GLU A 70 -14.311 5.663 4.927 1.00 0.00 C ATOM 1079 CD GLU A 70 -14.522 5.188 6.351 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -13.528 4.807 7.003 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -15.682 5.199 6.814 1.00 0.00 O ATOM 0 H GLU A 70 -12.381 9.038 4.710 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.585 6.751 3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.327 7.403 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.886 7.724 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.213 5.471 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.508 5.084 4.470 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.723 8.960 2.213 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.708 9.264 1.182 1.00 0.00 C ATOM 1090 C ASP A 71 -15.312 8.638 -0.151 1.00 0.00 C ATOM 1091 O ASP A 71 -16.154 8.101 -0.873 1.00 0.00 O ATOM 1092 CB ASP A 71 -15.861 10.778 1.023 1.00 0.00 C ATOM 1093 CG ASP A 71 -16.853 11.149 -0.062 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -16.483 11.082 -1.252 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -18.000 11.506 0.280 1.00 0.00 O ATOM 0 H ASP A 71 -14.391 9.773 2.732 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.663 8.840 1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.185 11.209 1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.891 11.216 0.789 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.025 8.710 -0.473 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.516 8.150 -1.721 1.00 0.00 C ATOM 1102 C LEU A 72 -14.087 6.758 -1.966 1.00 0.00 C ATOM 1103 O LEU A 72 -14.112 6.278 -3.099 1.00 0.00 O ATOM 1104 CB LEU A 72 -11.988 8.089 -1.689 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.258 9.419 -1.881 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.752 9.216 -1.815 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.654 10.058 -3.205 1.00 0.00 C ATOM 0 H LEU A 72 -13.315 9.150 0.112 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.831 8.800 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.681 7.664 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.656 7.400 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.549 10.091 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.249 10.173 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.483 8.802 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.443 8.527 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.125 11.004 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.392 9.389 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.729 10.240 -3.214 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.546 6.115 -0.897 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.119 4.778 -0.997 1.00 0.00 C ATOM 1121 C GLU A 73 -16.406 4.797 -1.816 1.00 0.00 C ATOM 1122 O GLU A 73 -16.646 3.911 -2.637 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.397 4.211 0.397 1.00 0.00 C ATOM 1124 CG GLU A 73 -16.214 2.930 0.382 1.00 0.00 C ATOM 1125 CD GLU A 73 -16.949 2.692 1.686 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -18.060 3.237 1.850 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -16.411 1.960 2.544 1.00 0.00 O ATOM 0 H GLU A 73 -14.532 6.498 0.048 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.396 4.139 -1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.448 4.021 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.924 4.961 0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.935 2.973 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.555 2.085 0.181 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.231 5.813 -1.587 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.495 5.948 -2.301 1.00 0.00 C ATOM 1136 C ARG A 74 -18.261 6.409 -3.737 1.00 0.00 C ATOM 1137 O ARG A 74 -19.093 6.184 -4.616 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.410 6.938 -1.579 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.142 8.390 -1.940 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.105 9.328 -1.229 1.00 0.00 C ATOM 1141 NE ARG A 74 -20.538 8.794 0.059 1.00 0.00 N ATOM 1142 CZ ARG A 74 -21.582 7.985 0.206 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -22.295 7.619 -0.850 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -21.914 7.541 1.412 1.00 0.00 N ATOM 0 H ARG A 74 -17.047 6.555 -0.912 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.976 4.970 -2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.447 6.699 -1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -19.290 6.812 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.117 8.649 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -19.234 8.521 -3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.624 10.294 -1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.976 9.501 -1.861 1.00 0.00 H new ATOM 0 HE ARG A 74 -20.010 9.056 0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.043 7.958 -1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.096 6.998 -0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.368 7.821 2.227 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.715 6.920 1.524 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.123 7.056 -3.968 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.779 7.548 -5.297 1.00 0.00 C ATOM 1160 C VAL A 75 -16.552 6.395 -6.268 1.00 0.00 C ATOM 1161 O VAL A 75 -15.654 5.576 -6.076 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.517 8.429 -5.259 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -15.117 8.849 -6.666 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.743 9.646 -4.375 1.00 0.00 C ATOM 0 H VAL A 75 -16.423 7.252 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.622 8.148 -5.641 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.701 7.846 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.223 9.471 -6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -14.911 7.962 -7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -15.930 9.415 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.841 10.257 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.572 10.233 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.978 9.321 -3.362 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.373 6.337 -7.312 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.262 5.284 -8.314 1.00 0.00 C ATOM 1176 C GLU A 76 -15.804 5.057 -8.705 1.00 0.00 C ATOM 1177 O GLU A 76 -14.968 5.949 -8.570 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.084 5.639 -9.554 1.00 0.00 C ATOM 1179 CG GLU A 76 -17.904 4.662 -10.704 1.00 0.00 C ATOM 1180 CD GLU A 76 -18.794 4.986 -11.889 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -18.483 5.950 -12.619 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -19.801 4.275 -12.086 1.00 0.00 O ATOM 0 H GLU A 76 -18.122 7.007 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.652 4.363 -7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -19.139 5.676 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.806 6.638 -9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.862 4.671 -11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.122 3.652 -10.356 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.508 3.854 -9.189 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.151 3.531 -9.592 1.00 0.00 C ATOM 1191 C GLY A 77 -13.241 3.273 -8.407 1.00 0.00 C ATOM 1192 O GLY A 77 -12.598 2.226 -8.327 1.00 0.00 O ATOM 0 H GLY A 77 -16.183 3.098 -9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.166 2.650 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.746 4.351 -10.185 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.185 4.229 -7.487 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.346 4.100 -6.302 1.00 0.00 C ATOM 1198 C ILE A 78 -13.074 3.348 -5.193 1.00 0.00 C ATOM 1199 O ILE A 78 -13.818 3.940 -4.410 1.00 0.00 O ATOM 1200 CB ILE A 78 -11.907 5.478 -5.770 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.268 6.301 -6.891 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -10.939 5.313 -4.608 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -10.917 7.713 -6.478 1.00 0.00 C ATOM 0 H ILE A 78 -13.711 5.102 -7.539 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.462 3.537 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.788 6.010 -5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.365 5.796 -7.232 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.952 6.338 -7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.638 6.295 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.426 4.761 -3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.058 4.765 -4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.468 8.238 -7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.821 8.236 -6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.209 7.684 -5.650 1.00 0.00 H new ATOM 1215 N THR A 79 -12.853 2.039 -5.129 1.00 0.00 N ATOM 1216 CA THR A 79 -13.486 1.205 -4.115 1.00 0.00 C ATOM 1217 C THR A 79 -12.789 1.352 -2.768 1.00 0.00 C ATOM 1218 O THR A 79 -11.600 1.661 -2.704 1.00 0.00 O ATOM 1219 CB THR A 79 -13.479 -0.280 -4.525 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.234 -1.051 -3.584 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.056 -0.814 -4.599 1.00 0.00 C ATOM 0 H THR A 79 -12.240 1.533 -5.768 1.00 0.00 H new ATOM 0 HA THR A 79 -14.518 1.545 -4.025 1.00 0.00 H new ATOM 0 HB THR A 79 -13.934 -0.364 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.226 -1.994 -3.852 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.076 -1.864 -4.890 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.491 -0.244 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.580 -0.717 -3.623 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.537 1.128 -1.692 1.00 0.00 N ATOM 1230 CA GLY A 80 -12.972 1.241 -0.359 1.00 0.00 C ATOM 1231 C GLY A 80 -11.532 0.773 -0.299 1.00 0.00 C ATOM 1232 O GLY A 80 -10.660 1.484 0.201 1.00 0.00 O ATOM 0 H GLY A 80 -14.524 0.870 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.028 2.279 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.571 0.654 0.337 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.280 -0.429 -0.807 1.00 0.00 N ATOM 1237 CA LYS A 81 -9.935 -0.993 -0.809 1.00 0.00 C ATOM 1238 C LYS A 81 -8.964 -0.082 -1.553 1.00 0.00 C ATOM 1239 O LYS A 81 -7.899 0.257 -1.038 1.00 0.00 O ATOM 1240 CB LYS A 81 -9.943 -2.381 -1.452 1.00 0.00 C ATOM 1241 CG LYS A 81 -10.439 -3.478 -0.525 1.00 0.00 C ATOM 1242 CD LYS A 81 -11.956 -3.500 -0.449 1.00 0.00 C ATOM 1243 CE LYS A 81 -12.462 -4.770 0.218 1.00 0.00 C ATOM 1244 NZ LYS A 81 -12.342 -5.954 -0.678 1.00 0.00 N ATOM 0 H LYS A 81 -11.990 -1.032 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.603 -1.080 0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.572 -2.356 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.933 -2.625 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.077 -4.444 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.026 -3.327 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.306 -2.631 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.373 -3.424 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.898 -4.949 1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.505 -4.638 0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.848 -6.760 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.756 -5.731 -1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.338 -6.199 -0.797 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.340 0.312 -2.765 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.502 1.184 -3.579 1.00 0.00 C ATOM 1260 C GLN A 82 -8.079 2.421 -2.793 1.00 0.00 C ATOM 1261 O GLN A 82 -6.891 2.727 -2.691 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.245 1.602 -4.849 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.031 0.656 -6.019 1.00 0.00 C ATOM 1264 CD GLN A 82 -9.360 1.294 -7.354 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -10.284 0.868 -8.048 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -8.604 2.322 -7.721 1.00 0.00 N ATOM 0 H GLN A 82 -10.219 0.041 -3.205 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.607 0.628 -3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.312 1.663 -4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.921 2.602 -5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.993 0.322 -6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.650 -0.231 -5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.849 2.642 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.779 2.792 -8.609 1.00 0.00 H new ATOM 1275 N MET A 83 -9.059 3.127 -2.239 1.00 0.00 N ATOM 1276 CA MET A 83 -8.787 4.331 -1.461 1.00 0.00 C ATOM 1277 C MET A 83 -7.986 3.997 -0.206 1.00 0.00 C ATOM 1278 O MET A 83 -7.245 4.835 0.308 1.00 0.00 O ATOM 1279 CB MET A 83 -10.097 5.020 -1.075 1.00 0.00 C ATOM 1280 CG MET A 83 -10.931 4.229 -0.081 1.00 0.00 C ATOM 1281 SD MET A 83 -11.931 5.286 0.984 1.00 0.00 S ATOM 1282 CE MET A 83 -10.669 6.338 1.698 1.00 0.00 C ATOM 0 H MET A 83 -10.048 2.887 -2.314 1.00 0.00 H new ATOM 0 HA MET A 83 -8.197 5.008 -2.079 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.872 5.998 -0.650 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.687 5.192 -1.976 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.584 3.545 -0.624 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.272 3.618 0.536 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.925 6.562 2.734 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.707 5.826 1.665 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.606 7.267 1.131 1.00 0.00 H new ATOM 1292 N GLU A 84 -8.140 2.770 0.281 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.430 2.328 1.476 1.00 0.00 C ATOM 1294 C GLU A 84 -5.936 2.185 1.200 1.00 0.00 C ATOM 1295 O GLU A 84 -5.104 2.688 1.955 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.999 0.997 1.970 1.00 0.00 C ATOM 1297 CG GLU A 84 -9.188 1.151 2.903 1.00 0.00 C ATOM 1298 CD GLU A 84 -9.345 -0.025 3.848 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -9.027 -1.161 3.438 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -9.785 0.191 4.996 1.00 0.00 O ATOM 0 H GLU A 84 -8.750 2.065 -0.133 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.567 3.083 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.298 0.398 1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.213 0.445 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.073 2.066 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.097 1.261 2.312 1.00 0.00 H new ATOM 1307 N SER A 85 -5.605 1.495 0.113 1.00 0.00 N ATOM 1308 CA SER A 85 -4.211 1.282 -0.261 1.00 0.00 C ATOM 1309 C SER A 85 -3.518 2.608 -0.555 1.00 0.00 C ATOM 1310 O SER A 85 -2.307 2.741 -0.382 1.00 0.00 O ATOM 1311 CB SER A 85 -4.124 0.365 -1.483 1.00 0.00 C ATOM 1312 OG SER A 85 -4.329 -0.989 -1.121 1.00 0.00 O ATOM 0 H SER A 85 -6.282 1.074 -0.524 1.00 0.00 H new ATOM 0 HA SER A 85 -3.704 0.806 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.869 0.664 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.148 0.475 -1.955 1.00 0.00 H new ATOM 0 HG SER A 85 -4.270 -1.554 -1.920 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.296 3.589 -1.001 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.759 4.906 -1.321 1.00 0.00 C ATOM 1320 C PHE A 86 -3.379 5.662 -0.051 1.00 0.00 C ATOM 1321 O PHE A 86 -2.213 5.994 0.163 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.779 5.716 -2.124 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.666 7.199 -1.915 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.438 7.833 -2.009 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.788 7.958 -1.624 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.331 9.198 -1.816 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.687 9.323 -1.431 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.458 9.944 -1.528 1.00 0.00 C ATOM 0 H PHE A 86 -5.301 3.496 -1.149 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.861 4.767 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.652 5.496 -3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.784 5.394 -1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.554 7.255 -2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.752 7.478 -1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.368 9.681 -1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.569 9.903 -1.204 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.377 11.011 -1.379 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.373 5.931 0.789 1.00 0.00 N ATOM 1339 CA LEU A 87 -4.145 6.649 2.039 1.00 0.00 C ATOM 1340 C LEU A 87 -2.785 6.293 2.630 1.00 0.00 C ATOM 1341 O LEU A 87 -2.054 7.165 3.101 1.00 0.00 O ATOM 1342 CB LEU A 87 -5.252 6.325 3.044 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.531 7.155 2.925 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.694 6.441 3.595 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.329 8.536 3.531 1.00 0.00 C ATOM 0 H LEU A 87 -5.344 5.663 0.628 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.159 7.718 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.515 5.272 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.851 6.454 4.049 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.766 7.276 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.596 7.046 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.853 5.475 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.468 6.289 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.249 9.113 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.069 8.436 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.524 9.050 3.006 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.451 5.008 2.601 1.00 0.00 N ATOM 1358 CA LYS A 88 -1.177 4.536 3.131 1.00 0.00 C ATOM 1359 C LYS A 88 -0.010 5.105 2.330 1.00 0.00 C ATOM 1360 O LYS A 88 0.878 5.753 2.884 1.00 0.00 O ATOM 1361 CB LYS A 88 -1.127 3.007 3.109 1.00 0.00 C ATOM 1362 CG LYS A 88 0.165 2.432 3.664 1.00 0.00 C ATOM 1363 CD LYS A 88 0.096 0.919 3.784 1.00 0.00 C ATOM 1364 CE LYS A 88 0.437 0.240 2.466 1.00 0.00 C ATOM 1365 NZ LYS A 88 0.242 -1.235 2.535 1.00 0.00 N ATOM 0 H LYS A 88 -3.045 4.274 2.216 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.090 4.881 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.966 2.616 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.257 2.662 2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.996 2.709 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.367 2.867 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.786 0.582 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.905 0.623 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.187 0.652 1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.472 0.458 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.485 -1.661 1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.856 -1.632 3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.751 -1.444 2.761 1.00 0.00 H new ATOM 1379 N ALA A 89 -0.019 4.860 1.024 1.00 0.00 N ATOM 1380 CA ALA A 89 1.036 5.352 0.147 1.00 0.00 C ATOM 1381 C ALA A 89 1.550 6.709 0.614 1.00 0.00 C ATOM 1382 O ALA A 89 2.750 6.895 0.812 1.00 0.00 O ATOM 1383 CB ALA A 89 0.533 5.440 -1.286 1.00 0.00 C ATOM 0 H ALA A 89 -0.746 4.324 0.550 1.00 0.00 H new ATOM 0 HA ALA A 89 1.866 4.646 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.331 5.809 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.222 4.451 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.315 6.123 -1.333 1.00 0.00 H new ATOM 1389 N ASN A 90 0.633 7.656 0.788 1.00 0.00 N ATOM 1390 CA ASN A 90 0.995 8.998 1.230 1.00 0.00 C ATOM 1391 C ASN A 90 1.286 9.017 2.728 1.00 0.00 C ATOM 1392 O ASN A 90 2.379 9.392 3.153 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.128 9.985 0.905 1.00 0.00 C ATOM 1394 CG ASN A 90 0.032 10.612 -0.466 1.00 0.00 C ATOM 1395 OD1 ASN A 90 0.122 11.833 -0.596 1.00 0.00 O ATOM 1396 ND2 ASN A 90 0.069 9.777 -1.498 1.00 0.00 N ATOM 0 H ASN A 90 -0.365 7.519 0.630 1.00 0.00 H new ATOM 0 HA ASN A 90 1.898 9.298 0.698 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.087 9.470 0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.148 10.770 1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.176 10.141 -2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.009 8.772 -1.344 1.00 0.00 H new ATOM 1403 N ILE A 91 0.301 8.610 3.521 1.00 0.00 N ATOM 1404 CA ILE A 91 0.452 8.578 4.971 1.00 0.00 C ATOM 1405 C ILE A 91 1.848 8.112 5.368 1.00 0.00 C ATOM 1406 O ILE A 91 2.616 8.861 5.974 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.591 7.654 5.626 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.965 8.327 5.638 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.162 7.288 7.039 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.093 7.393 6.015 1.00 0.00 C ATOM 0 H ILE A 91 -0.610 8.298 3.184 1.00 0.00 H new ATOM 0 HA ILE A 91 0.297 9.597 5.327 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.661 6.738 5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.946 9.161 6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.165 8.745 4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.910 6.635 7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.798 6.772 7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.066 8.195 7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.037 7.939 6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.139 6.571 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.917 6.995 7.014 1.00 0.00 H new ATOM 1422 N LEU A 92 2.172 6.871 5.021 1.00 0.00 N ATOM 1423 CA LEU A 92 3.478 6.304 5.340 1.00 0.00 C ATOM 1424 C LEU A 92 4.577 6.975 4.522 1.00 0.00 C ATOM 1425 O LEU A 92 5.625 7.342 5.053 1.00 0.00 O ATOM 1426 CB LEU A 92 3.479 4.797 5.079 1.00 0.00 C ATOM 1427 CG LEU A 92 2.537 3.964 5.948 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.555 2.508 5.512 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.918 4.088 7.416 1.00 0.00 C ATOM 0 H LEU A 92 1.549 6.239 4.519 1.00 0.00 H new ATOM 0 HA LEU A 92 3.677 6.483 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.220 4.630 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.494 4.425 5.219 1.00 0.00 H new ATOM 0 HG LEU A 92 1.524 4.346 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.878 1.931 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.234 2.435 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.566 2.112 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.237 3.489 8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.938 3.732 7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.852 5.132 7.722 1.00 0.00 H new ATOM 1441 N GLY A 93 4.330 7.133 3.225 1.00 0.00 N ATOM 1442 CA GLY A 93 5.306 7.761 2.354 1.00 0.00 C ATOM 1443 C GLY A 93 5.738 9.125 2.856 1.00 0.00 C ATOM 1444 O GLY A 93 6.827 9.599 2.529 1.00 0.00 O ATOM 0 H GLY A 93 3.471 6.837 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.180 7.115 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.884 7.862 1.354 1.00 0.00 H new ATOM 1448 N LEU A 94 4.883 9.759 3.650 1.00 0.00 N ATOM 1449 CA LEU A 94 5.180 11.078 4.197 1.00 0.00 C ATOM 1450 C LEU A 94 6.380 11.020 5.137 1.00 0.00 C ATOM 1451 O LEU A 94 7.273 11.864 5.073 1.00 0.00 O ATOM 1452 CB LEU A 94 3.962 11.631 4.939 1.00 0.00 C ATOM 1453 CG LEU A 94 2.876 12.264 4.069 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.511 12.106 4.719 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.183 13.734 3.819 1.00 0.00 C ATOM 0 H LEU A 94 3.978 9.381 3.930 1.00 0.00 H new ATOM 0 HA LEU A 94 5.424 11.742 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.513 10.821 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.306 12.377 5.656 1.00 0.00 H new ATOM 0 HG LEU A 94 2.860 11.748 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.751 12.563 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.289 11.046 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.513 12.595 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.400 14.169 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.227 14.263 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.142 13.824 3.309 1.00 0.00 H new