USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 781 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 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0579 USER MOD Single : A 14 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.1) USER MOD Single : A 16 TYR OH : rot 33:sc= -0.365 USER MOD Single : A 17 THR OG1 : rot 75:sc= 1.14 USER MOD Single : A 23 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.05) USER MOD Single : A 24 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.4) USER MOD Single : A 35 TYR OH : rot 165:sc= -1.86 USER MOD Single : A 37 THR OG1 : rot -87:sc= 1 USER MOD Single : B 10 THR OG1 : rot 160:sc= -0.868 USER MOD Single : B 14 GLN :FLIP amide:sc= -2.28! C(o=-4.3!,f=-2.3!) USER MOD Single : B 16 TYR OH : rot 56:sc= 0.715 USER MOD Single : B 17 THR OG1 : rot 88:sc= 1.08 USER MOD Single : B 23 GLN : amide:sc= -0.0218 X(o=-0.022,f=-0.25) USER MOD Single : B 24 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.3) USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 THR OG1 : rot 0:sc= 0.591 USER MOD Single : C 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 602 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.2!) USER MOD Single : C 605 LYS NZ :NH3+ 157:sc= -1.53 (180deg=-2.56!) USER MOD Single : C 607 GLN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : C 609 MET CE :methyl 154:sc= -1.34 (180deg=-4.16!) USER MOD Single : C 610 THR OG1 : rot 180:sc= 0 USER MOD Single : C 613 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -18.425 7.527 -9.092 1.00 0.00 N ATOM 121 CA GLN A 4 -17.955 8.896 -9.313 1.00 0.00 C ATOM 122 C GLN A 4 -16.783 9.233 -8.393 1.00 0.00 C ATOM 123 O GLN A 4 -16.908 9.145 -7.174 1.00 0.00 O ATOM 124 CB GLN A 4 -19.098 9.894 -9.096 1.00 0.00 C ATOM 125 CG GLN A 4 -19.826 9.721 -7.772 1.00 0.00 C ATOM 126 CD GLN A 4 -20.977 10.693 -7.611 1.00 0.00 C ATOM 127 OE1 GLN A 4 -22.142 10.297 -7.596 1.00 0.00 O ATOM 128 NE2 GLN A 4 -20.655 11.976 -7.489 1.00 0.00 N ATOM 0 HA GLN A 4 -17.610 8.969 -10.344 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.698 10.906 -9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.816 9.792 -9.910 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -20.203 8.701 -7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -19.121 9.859 -6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -19.675 12.260 -7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -21.387 12.677 -7.377 1.00 0.00 H new ATOM 137 N ILE A 5 -15.653 9.627 -8.978 1.00 0.00 N ATOM 138 CA ILE A 5 -14.470 9.984 -8.193 1.00 0.00 C ATOM 139 C ILE A 5 -14.855 10.895 -7.020 1.00 0.00 C ATOM 140 O ILE A 5 -15.097 12.086 -7.212 1.00 0.00 O ATOM 141 CB ILE A 5 -13.411 10.702 -9.065 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.956 9.797 -10.217 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.217 11.129 -8.219 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.437 8.447 -9.768 1.00 0.00 C ATOM 0 H ILE A 5 -15.531 9.707 -9.987 1.00 0.00 H new ATOM 0 HA ILE A 5 -14.043 9.057 -7.811 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.868 11.596 -9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.793 9.645 -10.899 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.174 10.307 -10.780 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.485 11.632 -8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.551 11.811 -7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.761 10.250 -7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.135 7.865 -10.639 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.579 8.587 -9.110 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.223 7.915 -9.231 1.00 0.00 H new ATOM 156 N PRO A 6 -14.931 10.351 -5.784 1.00 0.00 N ATOM 157 CA PRO A 6 -15.305 11.145 -4.608 1.00 0.00 C ATOM 158 C PRO A 6 -14.450 12.406 -4.457 1.00 0.00 C ATOM 159 O PRO A 6 -13.392 12.519 -5.077 1.00 0.00 O ATOM 160 CB PRO A 6 -15.069 10.184 -3.434 1.00 0.00 C ATOM 161 CG PRO A 6 -15.199 8.826 -4.027 1.00 0.00 C ATOM 162 CD PRO A 6 -14.673 8.937 -5.433 1.00 0.00 C ATOM 0 HA PRO A 6 -16.330 11.509 -4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.083 10.331 -2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.799 10.341 -2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.630 8.094 -3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.238 8.496 -4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.611 8.697 -5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.187 8.255 -6.110 1.00 0.00 H new ATOM 170 N PRO A 7 -14.892 13.374 -3.627 1.00 0.00 N ATOM 171 CA PRO A 7 -14.162 14.611 -3.399 1.00 0.00 C ATOM 172 C PRO A 7 -13.228 14.509 -2.195 1.00 0.00 C ATOM 173 O PRO A 7 -13.431 13.675 -1.312 1.00 0.00 O ATOM 174 CB PRO A 7 -15.286 15.624 -3.139 1.00 0.00 C ATOM 175 CG PRO A 7 -16.480 14.820 -2.693 1.00 0.00 C ATOM 176 CD PRO A 7 -16.127 13.352 -2.833 1.00 0.00 C ATOM 0 HA PRO A 7 -13.514 14.879 -4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.993 16.343 -2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.514 16.193 -4.041 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -16.735 15.055 -1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -17.353 15.063 -3.299 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -15.972 12.881 -1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.918 12.795 -3.335 1.00 0.00 H new ATOM 184 N GLY A 8 -12.203 15.358 -2.165 1.00 0.00 N ATOM 185 CA GLY A 8 -11.254 15.342 -1.062 1.00 0.00 C ATOM 186 C GLY A 8 -10.159 14.303 -1.238 1.00 0.00 C ATOM 187 O GLY A 8 -9.109 14.388 -0.601 1.00 0.00 O ATOM 0 H GLY A 8 -12.012 16.056 -2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.800 16.328 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.788 15.145 -0.133 1.00 0.00 H new ATOM 191 N LEU A 9 -10.404 13.319 -2.100 1.00 0.00 N ATOM 192 CA LEU A 9 -9.431 12.260 -2.353 1.00 0.00 C ATOM 193 C LEU A 9 -8.080 12.841 -2.760 1.00 0.00 C ATOM 194 O LEU A 9 -7.039 12.437 -2.245 1.00 0.00 O ATOM 195 CB LEU A 9 -9.947 11.312 -3.450 1.00 0.00 C ATOM 196 CG LEU A 9 -10.596 10.016 -2.944 1.00 0.00 C ATOM 197 CD1 LEU A 9 -11.486 9.405 -4.016 1.00 0.00 C ATOM 198 CD2 LEU A 9 -9.530 9.019 -2.509 1.00 0.00 C ATOM 0 H LEU A 9 -11.268 13.233 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.298 11.698 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.674 11.849 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.114 11.051 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.216 10.260 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.936 8.488 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.272 10.111 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.888 9.178 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.009 8.107 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.885 8.784 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.933 9.452 -1.706 1.00 0.00 H new ATOM 210 N THR A 10 -8.103 13.785 -3.693 1.00 0.00 N ATOM 211 CA THR A 10 -6.877 14.406 -4.174 1.00 0.00 C ATOM 212 C THR A 10 -6.101 15.067 -3.038 1.00 0.00 C ATOM 213 O THR A 10 -4.907 14.834 -2.870 1.00 0.00 O ATOM 214 CB THR A 10 -7.192 15.437 -5.269 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.448 16.052 -5.035 1.00 0.00 O ATOM 216 CG2 THR A 10 -7.219 14.845 -6.665 1.00 0.00 C ATOM 0 H THR A 10 -8.955 14.136 -4.130 1.00 0.00 H new ATOM 0 HA THR A 10 -6.251 13.619 -4.595 1.00 0.00 H new ATOM 0 HB THR A 10 -6.382 16.165 -5.219 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.629 16.706 -5.742 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.447 15.628 -7.388 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.246 14.411 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.983 14.070 -6.717 1.00 0.00 H new ATOM 224 N GLU A 11 -6.791 15.892 -2.261 1.00 0.00 N ATOM 225 CA GLU A 11 -6.167 16.589 -1.142 1.00 0.00 C ATOM 226 C GLU A 11 -5.588 15.605 -0.129 1.00 0.00 C ATOM 227 O GLU A 11 -4.538 15.859 0.463 1.00 0.00 O ATOM 228 CB GLU A 11 -7.182 17.506 -0.456 1.00 0.00 C ATOM 229 CG GLU A 11 -6.557 18.468 0.540 1.00 0.00 C ATOM 230 CD GLU A 11 -7.588 19.333 1.241 1.00 0.00 C ATOM 231 OE1 GLU A 11 -7.975 20.375 0.670 1.00 0.00 O ATOM 232 OE2 GLU A 11 -8.007 18.968 2.359 1.00 0.00 O ATOM 0 H GLU A 11 -7.783 16.095 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.349 17.190 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.714 18.078 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.923 16.894 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.997 17.902 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.843 19.108 0.022 1.00 0.00 H new ATOM 239 N LEU A 12 -6.281 14.489 0.079 1.00 0.00 N ATOM 240 CA LEU A 12 -5.841 13.473 1.035 1.00 0.00 C ATOM 241 C LEU A 12 -4.657 12.673 0.495 1.00 0.00 C ATOM 242 O LEU A 12 -3.688 12.418 1.210 1.00 0.00 O ATOM 243 CB LEU A 12 -7.007 12.530 1.377 1.00 0.00 C ATOM 244 CG LEU A 12 -7.144 12.114 2.854 1.00 0.00 C ATOM 245 CD1 LEU A 12 -7.028 13.316 3.792 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.468 11.394 3.068 1.00 0.00 C ATOM 0 H LEU A 12 -7.152 14.263 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.513 13.983 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.936 13.011 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.903 11.626 0.776 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.324 11.436 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.130 12.983 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.056 13.790 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.816 14.034 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.559 11.102 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.290 12.059 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.504 10.504 2.439 1.00 0.00 H new ATOM 258 N LEU A 13 -4.755 12.268 -0.770 1.00 0.00 N ATOM 259 CA LEU A 13 -3.706 11.484 -1.406 1.00 0.00 C ATOM 260 C LEU A 13 -2.474 12.347 -1.694 1.00 0.00 C ATOM 261 O LEU A 13 -1.342 11.898 -1.517 1.00 0.00 O ATOM 262 CB LEU A 13 -4.239 10.842 -2.698 1.00 0.00 C ATOM 263 CG LEU A 13 -4.866 9.454 -2.540 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.971 9.477 -1.494 1.00 0.00 C ATOM 265 CD2 LEU A 13 -5.405 8.955 -3.879 1.00 0.00 C ATOM 0 H LEU A 13 -5.552 12.472 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.402 10.692 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.983 11.509 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.418 10.771 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.091 8.766 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.402 8.481 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.557 9.787 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.746 10.180 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.847 7.967 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.164 9.646 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.590 8.895 -4.600 1.00 0.00 H new ATOM 277 N GLN A 14 -2.698 13.584 -2.140 1.00 0.00 N ATOM 278 CA GLN A 14 -1.590 14.486 -2.445 1.00 0.00 C ATOM 279 C GLN A 14 -0.739 14.723 -1.206 1.00 0.00 C ATOM 280 O GLN A 14 0.488 14.778 -1.287 1.00 0.00 O ATOM 281 CB GLN A 14 -2.089 15.828 -3.003 1.00 0.00 C ATOM 282 CG GLN A 14 -1.056 16.551 -3.873 1.00 0.00 C ATOM 283 CD GLN A 14 -0.856 18.005 -3.483 1.00 0.00 C ATOM 284 OE1 GLN A 14 0.274 18.486 -3.396 1.00 0.00 O ATOM 285 NE2 GLN A 14 -1.953 18.711 -3.244 1.00 0.00 N ATOM 0 H GLN A 14 -3.625 13.979 -2.296 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.981 14.008 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.990 15.655 -3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.370 16.476 -2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.102 16.028 -3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.370 16.501 -4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.870 18.272 -3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.880 19.693 -2.976 1.00 0.00 H new ATOM 294 N GLY A 15 -1.393 14.843 -0.055 1.00 0.00 N ATOM 295 CA GLY A 15 -0.671 15.046 1.183 1.00 0.00 C ATOM 296 C GLY A 15 0.329 13.934 1.418 1.00 0.00 C ATOM 297 O GLY A 15 1.482 14.184 1.764 1.00 0.00 O ATOM 0 H GLY A 15 -2.408 14.803 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.153 16.005 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.374 15.089 2.015 1.00 0.00 H new ATOM 301 N TYR A 16 -0.121 12.701 1.211 1.00 0.00 N ATOM 302 CA TYR A 16 0.738 11.535 1.382 1.00 0.00 C ATOM 303 C TYR A 16 1.799 11.495 0.277 1.00 0.00 C ATOM 304 O TYR A 16 2.986 11.307 0.544 1.00 0.00 O ATOM 305 CB TYR A 16 -0.114 10.258 1.376 1.00 0.00 C ATOM 306 CG TYR A 16 0.671 8.959 1.321 1.00 0.00 C ATOM 307 CD1 TYR A 16 1.881 8.807 1.992 1.00 0.00 C ATOM 308 CD2 TYR A 16 0.187 7.876 0.597 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.581 7.613 1.936 1.00 0.00 C ATOM 310 CE2 TYR A 16 0.883 6.684 0.538 1.00 0.00 C ATOM 311 CZ TYR A 16 2.077 6.558 1.208 1.00 0.00 C ATOM 312 OH TYR A 16 2.773 5.373 1.143 1.00 0.00 O ATOM 0 H TYR A 16 -1.075 12.483 0.925 1.00 0.00 H new ATOM 0 HA TYR A 16 1.252 11.601 2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.736 10.251 2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.788 10.294 0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.280 9.632 2.564 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.751 7.968 0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.519 7.510 2.461 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.491 5.855 -0.032 1.00 0.00 H new ATOM 0 HH TYR A 16 3.249 5.227 1.987 1.00 0.00 H new ATOM 322 N THR A 17 1.350 11.665 -0.968 1.00 0.00 N ATOM 323 CA THR A 17 2.241 11.639 -2.131 1.00 0.00 C ATOM 324 C THR A 17 3.377 12.655 -2.012 1.00 0.00 C ATOM 325 O THR A 17 4.551 12.290 -2.032 1.00 0.00 O ATOM 326 CB THR A 17 1.441 11.918 -3.410 1.00 0.00 C ATOM 327 OG1 THR A 17 0.348 11.024 -3.519 1.00 0.00 O ATOM 328 CG2 THR A 17 2.257 11.799 -4.688 1.00 0.00 C ATOM 0 H THR A 17 0.369 11.823 -1.198 1.00 0.00 H new ATOM 0 HA THR A 17 2.686 10.645 -2.175 1.00 0.00 H new ATOM 0 HB THR A 17 1.109 12.952 -3.313 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.352 11.284 -2.885 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.621 12.011 -5.547 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.080 12.513 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.656 10.788 -4.772 1.00 0.00 H new ATOM 336 N VAL A 18 3.021 13.932 -1.910 1.00 0.00 N ATOM 337 CA VAL A 18 4.018 14.999 -1.814 1.00 0.00 C ATOM 338 C VAL A 18 5.006 14.747 -0.680 1.00 0.00 C ATOM 339 O VAL A 18 6.142 15.216 -0.725 1.00 0.00 O ATOM 340 CB VAL A 18 3.351 16.381 -1.628 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.814 16.550 -0.212 1.00 0.00 C ATOM 342 CG2 VAL A 18 4.332 17.492 -1.979 1.00 0.00 C ATOM 0 H VAL A 18 2.054 14.255 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 18 4.567 14.999 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 18 2.501 16.444 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.351 17.532 -0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.073 15.777 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.634 16.462 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.849 18.460 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.204 17.427 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.646 17.385 -3.017 1.00 0.00 H new ATOM 352 N GLU A 19 4.576 14.005 0.331 1.00 0.00 N ATOM 353 CA GLU A 19 5.439 13.698 1.465 1.00 0.00 C ATOM 354 C GLU A 19 6.500 12.666 1.075 1.00 0.00 C ATOM 355 O GLU A 19 7.560 12.585 1.695 1.00 0.00 O ATOM 356 CB GLU A 19 4.603 13.186 2.648 1.00 0.00 C ATOM 357 CG GLU A 19 5.159 13.588 4.011 1.00 0.00 C ATOM 358 CD GLU A 19 4.633 14.928 4.492 1.00 0.00 C ATOM 359 OE1 GLU A 19 4.319 15.784 3.638 1.00 0.00 O ATOM 360 OE2 GLU A 19 4.536 15.121 5.722 1.00 0.00 O ATOM 0 H GLU A 19 3.639 13.606 0.390 1.00 0.00 H new ATOM 0 HA GLU A 19 5.948 14.613 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.586 13.566 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.543 12.099 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.905 12.820 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.247 13.629 3.956 1.00 0.00 H new ATOM 367 N VAL A 20 6.196 11.870 0.051 1.00 0.00 N ATOM 368 CA VAL A 20 7.110 10.829 -0.417 1.00 0.00 C ATOM 369 C VAL A 20 8.252 11.394 -1.268 1.00 0.00 C ATOM 370 O VAL A 20 9.386 10.930 -1.175 1.00 0.00 O ATOM 371 CB VAL A 20 6.350 9.722 -1.206 1.00 0.00 C ATOM 372 CG1 VAL A 20 6.426 9.934 -2.716 1.00 0.00 C ATOM 373 CG2 VAL A 20 6.879 8.342 -0.840 1.00 0.00 C ATOM 0 H VAL A 20 5.322 11.926 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 20 7.552 10.384 0.475 1.00 0.00 H new ATOM 0 HB VAL A 20 5.301 9.789 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.882 9.137 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.982 10.896 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.469 9.920 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.335 7.583 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.940 8.283 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.741 8.171 0.228 1.00 0.00 H new ATOM 383 N LEU A 21 7.950 12.384 -2.104 1.00 0.00 N ATOM 384 CA LEU A 21 8.962 12.987 -2.974 1.00 0.00 C ATOM 385 C LEU A 21 9.952 13.832 -2.172 1.00 0.00 C ATOM 386 O LEU A 21 11.136 13.891 -2.499 1.00 0.00 O ATOM 387 CB LEU A 21 8.292 13.842 -4.065 1.00 0.00 C ATOM 388 CG LEU A 21 8.179 13.168 -5.436 1.00 0.00 C ATOM 389 CD1 LEU A 21 7.194 12.011 -5.387 1.00 0.00 C ATOM 390 CD2 LEU A 21 7.765 14.178 -6.494 1.00 0.00 C ATOM 0 H LEU A 21 7.017 12.786 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 21 9.518 12.179 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.292 14.116 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.856 14.768 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 21 9.158 12.771 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.129 11.547 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.534 11.274 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.211 12.382 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.690 13.681 -7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.798 14.606 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.510 14.972 -6.551 1.00 0.00 H new ATOM 402 N ARG A 22 9.463 14.499 -1.134 1.00 0.00 N ATOM 403 CA ARG A 22 10.322 15.352 -0.312 1.00 0.00 C ATOM 404 C ARG A 22 11.224 14.545 0.625 1.00 0.00 C ATOM 405 O ARG A 22 12.325 14.987 0.955 1.00 0.00 O ATOM 406 CB ARG A 22 9.481 16.335 0.491 1.00 0.00 C ATOM 407 CG ARG A 22 8.579 15.680 1.515 1.00 0.00 C ATOM 408 CD ARG A 22 7.838 16.724 2.326 1.00 0.00 C ATOM 409 NE ARG A 22 6.746 17.340 1.573 1.00 0.00 N ATOM 410 CZ ARG A 22 6.026 18.367 2.022 1.00 0.00 C ATOM 411 NH1 ARG A 22 6.268 18.884 3.220 1.00 0.00 N ATOM 412 NH2 ARG A 22 5.061 18.877 1.269 1.00 0.00 N ATOM 0 H ARG A 22 8.487 14.469 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 22 10.971 15.901 -0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.145 17.034 1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.869 16.920 -0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.864 15.029 1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.172 15.051 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.439 16.263 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.537 17.497 2.645 1.00 0.00 H new ATOM 0 HE ARG A 22 6.523 16.962 0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.009 18.495 3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.713 19.670 3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.871 18.483 0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.509 19.663 1.611 1.00 0.00 H new ATOM 426 N GLN A 23 10.765 13.365 1.057 1.00 0.00 N ATOM 427 CA GLN A 23 11.552 12.519 1.964 1.00 0.00 C ATOM 428 C GLN A 23 12.113 11.305 1.227 1.00 0.00 C ATOM 429 O GLN A 23 13.318 11.051 1.249 1.00 0.00 O ATOM 430 CB GLN A 23 10.685 12.066 3.140 1.00 0.00 C ATOM 431 CG GLN A 23 11.445 11.276 4.193 1.00 0.00 C ATOM 432 CD GLN A 23 12.495 12.112 4.902 1.00 0.00 C ATOM 433 OE1 GLN A 23 12.196 13.183 5.430 1.00 0.00 O ATOM 434 NE2 GLN A 23 13.732 11.626 4.921 1.00 0.00 N ATOM 0 H GLN A 23 9.859 12.975 0.796 1.00 0.00 H new ATOM 0 HA GLN A 23 12.389 13.106 2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.238 12.943 3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.866 11.455 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.741 10.884 4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.925 10.418 3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.936 10.734 4.471 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.477 12.145 5.386 1.00 0.00 H new ATOM 443 N GLN A 24 11.231 10.577 0.559 1.00 0.00 N ATOM 444 CA GLN A 24 11.614 9.402 -0.217 1.00 0.00 C ATOM 445 C GLN A 24 12.319 8.328 0.623 1.00 0.00 C ATOM 446 O GLN A 24 13.439 7.927 0.307 1.00 0.00 O ATOM 447 CB GLN A 24 12.516 9.813 -1.384 1.00 0.00 C ATOM 448 CG GLN A 24 11.915 10.889 -2.272 1.00 0.00 C ATOM 449 CD GLN A 24 12.898 11.413 -3.300 1.00 0.00 C ATOM 450 OE1 GLN A 24 14.040 10.957 -3.375 1.00 0.00 O ATOM 451 NE2 GLN A 24 12.459 12.378 -4.101 1.00 0.00 N ATOM 0 H GLN A 24 10.232 10.781 0.538 1.00 0.00 H new ATOM 0 HA GLN A 24 10.689 8.962 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 24 13.467 10.170 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.734 8.934 -1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.041 10.486 -2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.569 11.716 -1.651 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.505 12.727 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.076 12.770 -4.812 1.00 0.00 H new ATOM 460 N PRO A 25 11.671 7.823 1.690 1.00 0.00 N ATOM 461 CA PRO A 25 12.250 6.773 2.535 1.00 0.00 C ATOM 462 C PRO A 25 12.221 5.417 1.828 1.00 0.00 C ATOM 463 O PRO A 25 11.626 5.286 0.756 1.00 0.00 O ATOM 464 CB PRO A 25 11.342 6.779 3.767 1.00 0.00 C ATOM 465 CG PRO A 25 10.028 7.220 3.243 1.00 0.00 C ATOM 466 CD PRO A 25 10.325 8.209 2.142 1.00 0.00 C ATOM 0 HA PRO A 25 13.298 6.947 2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.279 5.790 4.221 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.714 7.459 4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.457 6.373 2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.430 7.681 4.029 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.596 8.142 1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.303 9.236 2.508 1.00 0.00 H new ATOM 474 N PRO A 26 12.895 4.399 2.388 1.00 0.00 N ATOM 475 CA PRO A 26 12.969 3.068 1.768 1.00 0.00 C ATOM 476 C PRO A 26 11.671 2.246 1.805 1.00 0.00 C ATOM 477 O PRO A 26 11.619 1.183 1.186 1.00 0.00 O ATOM 478 CB PRO A 26 14.068 2.370 2.582 1.00 0.00 C ATOM 479 CG PRO A 26 14.021 3.033 3.913 1.00 0.00 C ATOM 480 CD PRO A 26 13.683 4.471 3.637 1.00 0.00 C ATOM 0 HA PRO A 26 13.165 3.160 0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.882 1.299 2.665 1.00 0.00 H new ATOM 0 HB3 PRO A 26 15.045 2.488 2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.271 2.570 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.978 2.947 4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 26 13.108 4.913 4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 26 14.579 5.079 3.513 1.00 0.00 H new ATOM 488 N ASP A 27 10.627 2.697 2.518 1.00 0.00 N ATOM 489 CA ASP A 27 9.385 1.926 2.576 1.00 0.00 C ATOM 490 C ASP A 27 8.162 2.798 2.343 1.00 0.00 C ATOM 491 O ASP A 27 7.886 3.714 3.113 1.00 0.00 O ATOM 492 CB ASP A 27 9.278 1.210 3.925 1.00 0.00 C ATOM 493 CG ASP A 27 10.166 -0.017 4.002 1.00 0.00 C ATOM 494 OD1 ASP A 27 10.004 -0.921 3.155 1.00 0.00 O ATOM 495 OD2 ASP A 27 11.021 -0.076 4.911 1.00 0.00 O ATOM 0 H ASP A 27 10.620 3.569 3.048 1.00 0.00 H new ATOM 0 HA ASP A 27 9.415 1.188 1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.549 1.902 4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.242 0.917 4.096 1.00 0.00 H new ATOM 500 N LEU A 28 7.418 2.485 1.284 1.00 0.00 N ATOM 501 CA LEU A 28 6.205 3.216 0.959 1.00 0.00 C ATOM 502 C LEU A 28 5.055 2.689 1.802 1.00 0.00 C ATOM 503 O LEU A 28 4.227 3.456 2.294 1.00 0.00 O ATOM 504 CB LEU A 28 5.876 3.077 -0.529 1.00 0.00 C ATOM 505 CG LEU A 28 7.005 3.483 -1.483 1.00 0.00 C ATOM 506 CD1 LEU A 28 6.794 2.868 -2.860 1.00 0.00 C ATOM 507 CD2 LEU A 28 7.102 4.999 -1.585 1.00 0.00 C ATOM 0 H LEU A 28 7.639 1.727 0.638 1.00 0.00 H new ATOM 0 HA LEU A 28 6.359 4.273 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.606 2.040 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.998 3.684 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 28 7.944 3.105 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.607 3.169 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.779 1.781 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.845 3.213 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.909 5.267 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.161 5.399 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.306 5.418 -0.599 1.00 0.00 H new ATOM 519 N VAL A 29 5.026 1.371 1.987 1.00 0.00 N ATOM 520 CA VAL A 29 3.995 0.748 2.798 1.00 0.00 C ATOM 521 C VAL A 29 4.120 1.237 4.234 1.00 0.00 C ATOM 522 O VAL A 29 3.121 1.480 4.911 1.00 0.00 O ATOM 523 CB VAL A 29 4.086 -0.796 2.759 1.00 0.00 C ATOM 524 CG1 VAL A 29 5.336 -1.287 3.478 1.00 0.00 C ATOM 525 CG2 VAL A 29 2.826 -1.423 3.351 1.00 0.00 C ATOM 0 H VAL A 29 5.703 0.721 1.587 1.00 0.00 H new ATOM 0 HA VAL A 29 3.025 1.030 2.388 1.00 0.00 H new ATOM 0 HB VAL A 29 4.161 -1.108 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.376 -2.375 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.220 -0.872 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.307 -0.965 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.909 -2.509 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.712 -1.102 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.957 -1.106 2.775 1.00 0.00 H new ATOM 535 N GLU A 30 5.364 1.413 4.680 1.00 0.00 N ATOM 536 CA GLU A 30 5.628 1.912 6.020 1.00 0.00 C ATOM 537 C GLU A 30 5.246 3.381 6.084 1.00 0.00 C ATOM 538 O GLU A 30 4.536 3.806 6.994 1.00 0.00 O ATOM 539 CB GLU A 30 7.100 1.736 6.391 1.00 0.00 C ATOM 540 CG GLU A 30 7.402 2.049 7.848 1.00 0.00 C ATOM 541 CD GLU A 30 8.889 2.061 8.147 1.00 0.00 C ATOM 542 OE1 GLU A 30 9.642 1.360 7.440 1.00 0.00 O ATOM 543 OE2 GLU A 30 9.300 2.773 9.087 1.00 0.00 O ATOM 0 H GLU A 30 6.200 1.216 4.130 1.00 0.00 H new ATOM 0 HA GLU A 30 5.034 1.342 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.399 0.710 6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.706 2.382 5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.976 3.020 8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.914 1.310 8.483 1.00 0.00 H new ATOM 550 N PHE A 31 5.705 4.153 5.094 1.00 0.00 N ATOM 551 CA PHE A 31 5.388 5.579 5.028 1.00 0.00 C ATOM 552 C PHE A 31 3.893 5.815 5.251 1.00 0.00 C ATOM 553 O PHE A 31 3.490 6.597 6.111 1.00 0.00 O ATOM 554 CB PHE A 31 5.775 6.131 3.648 1.00 0.00 C ATOM 555 CG PHE A 31 5.975 7.625 3.610 1.00 0.00 C ATOM 556 CD1 PHE A 31 5.081 8.491 4.223 1.00 0.00 C ATOM 557 CD2 PHE A 31 7.077 8.163 2.974 1.00 0.00 C ATOM 558 CE1 PHE A 31 5.293 9.856 4.202 1.00 0.00 C ATOM 559 CE2 PHE A 31 7.291 9.523 2.946 1.00 0.00 C ATOM 560 CZ PHE A 31 6.402 10.371 3.564 1.00 0.00 C ATOM 0 H PHE A 31 6.294 3.815 4.333 1.00 0.00 H new ATOM 0 HA PHE A 31 5.950 6.089 5.810 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.694 5.645 3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.999 5.862 2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.210 8.094 4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.784 7.505 2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.591 10.519 4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.156 9.923 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.572 11.437 3.550 1.00 0.00 H new ATOM 570 N ALA A 32 3.080 5.146 4.449 1.00 0.00 N ATOM 571 CA ALA A 32 1.632 5.290 4.516 1.00 0.00 C ATOM 572 C ALA A 32 1.086 5.222 5.942 1.00 0.00 C ATOM 573 O ALA A 32 0.272 6.055 6.332 1.00 0.00 O ATOM 574 CB ALA A 32 0.980 4.233 3.649 1.00 0.00 C ATOM 0 H ALA A 32 3.402 4.491 3.736 1.00 0.00 H new ATOM 0 HA ALA A 32 1.388 6.285 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.104 4.340 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.310 4.354 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.264 3.243 4.007 1.00 0.00 H new ATOM 580 N VAL A 33 1.529 4.245 6.724 1.00 0.00 N ATOM 581 CA VAL A 33 1.055 4.115 8.100 1.00 0.00 C ATOM 582 C VAL A 33 1.561 5.275 8.953 1.00 0.00 C ATOM 583 O VAL A 33 0.758 6.023 9.508 1.00 0.00 O ATOM 584 CB VAL A 33 1.514 2.780 8.723 1.00 0.00 C ATOM 585 CG1 VAL A 33 1.056 2.667 10.170 1.00 0.00 C ATOM 586 CG2 VAL A 33 0.998 1.608 7.900 1.00 0.00 C ATOM 0 H VAL A 33 2.207 3.539 6.436 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.035 4.133 8.076 1.00 0.00 H new ATOM 0 HB VAL A 33 2.604 2.756 8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.393 1.717 10.585 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.479 3.487 10.751 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.032 2.716 10.212 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.329 0.673 8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.091 1.633 7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.386 1.678 6.884 1.00 0.00 H new ATOM 596 N GLU A 34 2.872 5.434 9.072 1.00 0.00 N ATOM 597 CA GLU A 34 3.415 6.523 9.885 1.00 0.00 C ATOM 598 C GLU A 34 2.791 7.865 9.497 1.00 0.00 C ATOM 599 O GLU A 34 2.625 8.748 10.338 1.00 0.00 O ATOM 600 CB GLU A 34 4.940 6.593 9.763 1.00 0.00 C ATOM 601 CG GLU A 34 5.433 6.757 8.339 1.00 0.00 C ATOM 602 CD GLU A 34 6.946 6.718 8.237 1.00 0.00 C ATOM 603 OE1 GLU A 34 7.538 5.674 8.585 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.539 7.730 7.810 1.00 0.00 O ATOM 0 H GLU A 34 3.570 4.838 8.627 1.00 0.00 H new ATOM 0 HA GLU A 34 3.161 6.314 10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.305 7.427 10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.371 5.685 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.010 5.967 7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.070 7.704 7.940 1.00 0.00 H new ATOM 611 N TYR A 35 2.445 8.013 8.219 1.00 0.00 N ATOM 612 CA TYR A 35 1.838 9.248 7.722 1.00 0.00 C ATOM 613 C TYR A 35 0.350 9.335 8.063 1.00 0.00 C ATOM 614 O TYR A 35 -0.090 10.292 8.702 1.00 0.00 O ATOM 615 CB TYR A 35 2.029 9.364 6.208 1.00 0.00 C ATOM 616 CG TYR A 35 1.285 10.529 5.585 1.00 0.00 C ATOM 617 CD1 TYR A 35 -0.051 10.408 5.222 1.00 0.00 C ATOM 618 CD2 TYR A 35 1.916 11.749 5.365 1.00 0.00 C ATOM 619 CE1 TYR A 35 -0.737 11.466 4.659 1.00 0.00 C ATOM 620 CE2 TYR A 35 1.235 12.812 4.800 1.00 0.00 C ATOM 621 CZ TYR A 35 -0.090 12.665 4.450 1.00 0.00 C ATOM 622 OH TYR A 35 -0.771 13.722 3.892 1.00 0.00 O ATOM 0 H TYR A 35 2.575 7.293 7.508 1.00 0.00 H new ATOM 0 HA TYR A 35 2.343 10.077 8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.092 9.467 5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.696 8.439 5.737 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.562 9.470 5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.954 11.868 5.640 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.775 11.355 4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.739 13.753 4.634 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.262 14.548 4.030 1.00 0.00 H new ATOM 632 N PHE A 36 -0.427 8.349 7.619 1.00 0.00 N ATOM 633 CA PHE A 36 -1.867 8.350 7.870 1.00 0.00 C ATOM 634 C PHE A 36 -2.184 8.260 9.365 1.00 0.00 C ATOM 635 O PHE A 36 -3.221 8.751 9.811 1.00 0.00 O ATOM 636 CB PHE A 36 -2.556 7.209 7.103 1.00 0.00 C ATOM 637 CG PHE A 36 -2.984 7.601 5.711 1.00 0.00 C ATOM 638 CD1 PHE A 36 -4.126 8.360 5.520 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.244 7.223 4.599 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.526 8.734 4.252 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.640 7.595 3.327 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.782 8.351 3.154 1.00 0.00 C ATOM 0 H PHE A 36 -0.088 7.546 7.089 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.258 9.300 7.507 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.876 6.359 7.041 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.429 6.878 7.665 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.712 8.664 6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.349 6.632 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.420 9.325 4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.056 7.294 2.470 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.093 8.642 2.162 1.00 0.00 H new ATOM 652 N THR A 37 -1.296 7.640 10.140 1.00 0.00 N ATOM 653 CA THR A 37 -1.513 7.512 11.581 1.00 0.00 C ATOM 654 C THR A 37 -1.340 8.859 12.277 1.00 0.00 C ATOM 655 O THR A 37 -2.234 9.322 12.984 1.00 0.00 O ATOM 656 CB THR A 37 -0.556 6.485 12.193 1.00 0.00 C ATOM 657 OG1 THR A 37 0.790 6.790 11.872 1.00 0.00 O ATOM 658 CG2 THR A 37 -0.829 5.064 11.751 1.00 0.00 C ATOM 0 H THR A 37 -0.429 7.223 9.800 1.00 0.00 H new ATOM 0 HA THR A 37 -2.536 7.166 11.730 1.00 0.00 H new ATOM 0 HB THR A 37 -0.725 6.547 13.268 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.019 6.389 11.008 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.113 4.392 12.224 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.840 4.780 12.042 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.731 4.995 10.668 1.00 0.00 H new ATOM 666 N ARG A 38 -0.183 9.481 12.072 1.00 0.00 N ATOM 667 CA ARG A 38 0.109 10.774 12.681 1.00 0.00 C ATOM 668 C ARG A 38 -0.977 11.797 12.350 1.00 0.00 C ATOM 669 O ARG A 38 -1.524 12.447 13.240 1.00 0.00 O ATOM 670 CB ARG A 38 1.475 11.287 12.211 1.00 0.00 C ATOM 671 CG ARG A 38 2.648 10.551 12.837 1.00 0.00 C ATOM 672 CD ARG A 38 3.978 11.072 12.313 1.00 0.00 C ATOM 673 NE ARG A 38 4.182 10.738 10.905 1.00 0.00 N ATOM 674 CZ ARG A 38 5.326 10.941 10.254 1.00 0.00 C ATOM 675 NH1 ARG A 38 6.368 11.475 10.878 1.00 0.00 N ATOM 676 NH2 ARG A 38 5.427 10.607 8.975 1.00 0.00 N ATOM 0 H ARG A 38 0.567 9.111 11.489 1.00 0.00 H new ATOM 0 HA ARG A 38 0.132 10.639 13.762 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.535 11.194 11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.556 12.348 12.445 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.613 10.664 13.921 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.565 9.485 12.625 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.018 12.154 12.438 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.790 10.652 12.906 1.00 0.00 H new ATOM 0 HE ARG A 38 3.403 10.326 10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.296 11.733 11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.241 11.628 10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.629 10.195 8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.302 10.762 8.475 1.00 0.00 H new ATOM 690 N LEU A 39 -1.279 11.938 11.061 1.00 0.00 N ATOM 691 CA LEU A 39 -2.297 12.888 10.613 1.00 0.00 C ATOM 692 C LEU A 39 -3.580 12.747 11.434 1.00 0.00 C ATOM 693 O LEU A 39 -4.047 13.710 12.041 1.00 0.00 O ATOM 694 CB LEU A 39 -2.593 12.679 9.122 1.00 0.00 C ATOM 695 CG LEU A 39 -3.073 13.924 8.375 1.00 0.00 C ATOM 696 CD1 LEU A 39 -3.330 13.599 6.911 1.00 0.00 C ATOM 697 CD2 LEU A 39 -4.328 14.489 9.028 1.00 0.00 C ATOM 0 H LEU A 39 -0.836 11.409 10.310 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.911 13.897 10.761 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.690 12.309 8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.350 11.901 9.023 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.291 14.681 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.671 14.496 6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.409 13.242 6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.095 12.826 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.655 15.374 8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.118 13.738 9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.110 14.759 10.061 1.00 0.00 H new ATOM 709 N ARG A 40 -4.138 11.540 11.457 1.00 0.00 N ATOM 710 CA ARG A 40 -5.355 11.277 12.212 1.00 0.00 C ATOM 711 C ARG A 40 -5.142 11.553 13.699 1.00 0.00 C ATOM 712 O ARG A 40 -5.926 12.266 14.327 1.00 0.00 O ATOM 713 CB ARG A 40 -5.789 9.823 11.999 1.00 0.00 C ATOM 714 CG ARG A 40 -7.279 9.655 11.766 1.00 0.00 C ATOM 715 CD ARG A 40 -7.679 8.199 11.870 1.00 0.00 C ATOM 716 NE ARG A 40 -7.748 7.768 13.261 1.00 0.00 N ATOM 717 CZ ARG A 40 -8.006 6.519 13.645 1.00 0.00 C ATOM 718 NH1 ARG A 40 -8.228 5.574 12.743 1.00 0.00 N ATOM 719 NH2 ARG A 40 -8.041 6.216 14.935 1.00 0.00 N ATOM 0 H ARG A 40 -3.766 10.730 10.961 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.140 11.943 11.854 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.249 9.414 11.145 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.499 9.236 12.870 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.834 10.242 12.497 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.543 10.040 10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.647 8.050 11.392 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.960 7.582 11.331 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.589 8.467 13.986 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.202 5.801 11.749 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.425 4.619 13.043 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.870 6.939 15.634 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.239 5.259 15.229 1.00 0.00 H new ATOM 963 N PRO B 7 8.814 3.899 -7.594 1.00 0.00 N ATOM 964 CA PRO B 7 8.227 2.696 -8.200 1.00 0.00 C ATOM 965 C PRO B 7 7.386 1.881 -7.215 1.00 0.00 C ATOM 966 O PRO B 7 7.882 1.438 -6.179 1.00 0.00 O ATOM 967 CB PRO B 7 9.458 1.904 -8.645 1.00 0.00 C ATOM 968 CG PRO B 7 10.470 2.949 -8.962 1.00 0.00 C ATOM 969 CD PRO B 7 10.232 4.068 -7.979 1.00 0.00 C ATOM 0 HA PRO B 7 7.537 2.940 -9.007 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.808 1.237 -7.858 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.240 1.284 -9.515 1.00 0.00 H new ATOM 0 HG2 PRO B 7 11.482 2.554 -8.867 1.00 0.00 H new ATOM 0 HG3 PRO B 7 10.360 3.301 -9.988 1.00 0.00 H new ATOM 0 HD2 PRO B 7 10.893 3.991 -7.116 1.00 0.00 H new ATOM 0 HD3 PRO B 7 10.411 5.043 -8.431 1.00 0.00 H new ATOM 977 N GLY B 8 6.112 1.681 -7.557 1.00 0.00 N ATOM 978 CA GLY B 8 5.214 0.909 -6.705 1.00 0.00 C ATOM 979 C GLY B 8 4.222 1.772 -5.949 1.00 0.00 C ATOM 980 O GLY B 8 3.107 1.340 -5.666 1.00 0.00 O ATOM 0 H GLY B 8 5.684 2.040 -8.410 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.669 0.191 -7.318 1.00 0.00 H new ATOM 0 HA3 GLY B 8 5.805 0.335 -5.991 1.00 0.00 H new ATOM 984 N LEU B 9 4.625 2.995 -5.616 1.00 0.00 N ATOM 985 CA LEU B 9 3.757 3.914 -4.884 1.00 0.00 C ATOM 986 C LEU B 9 2.418 4.081 -5.599 1.00 0.00 C ATOM 987 O LEU B 9 1.364 4.080 -4.963 1.00 0.00 O ATOM 988 CB LEU B 9 4.450 5.275 -4.725 1.00 0.00 C ATOM 989 CG LEU B 9 3.701 6.331 -3.891 1.00 0.00 C ATOM 990 CD1 LEU B 9 2.647 7.058 -4.723 1.00 0.00 C ATOM 991 CD2 LEU B 9 3.065 5.702 -2.657 1.00 0.00 C ATOM 0 H LEU B 9 5.545 3.373 -5.841 1.00 0.00 H new ATOM 0 HA LEU B 9 3.564 3.496 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.427 5.110 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.627 5.687 -5.719 1.00 0.00 H new ATOM 0 HG LEU B 9 4.436 7.067 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU B 9 2.139 7.796 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU B 9 3.129 7.560 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU B 9 1.920 6.338 -5.100 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.543 6.469 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.356 4.933 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU B 9 3.841 5.253 -2.037 1.00 0.00 H new ATOM 1003 N THR B 10 2.463 4.219 -6.918 1.00 0.00 N ATOM 1004 CA THR B 10 1.242 4.379 -7.704 1.00 0.00 C ATOM 1005 C THR B 10 0.245 3.265 -7.400 1.00 0.00 C ATOM 1006 O THR B 10 -0.955 3.507 -7.274 1.00 0.00 O ATOM 1007 CB THR B 10 1.565 4.392 -9.199 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.524 5.390 -9.496 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.351 4.643 -10.075 1.00 0.00 C ATOM 0 H THR B 10 3.324 4.224 -7.465 1.00 0.00 H new ATOM 0 HA THR B 10 0.791 5.332 -7.429 1.00 0.00 H new ATOM 0 HB THR B 10 1.950 3.396 -9.419 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.952 5.187 -10.354 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.651 4.639 -11.123 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.388 3.859 -9.906 1.00 0.00 H new ATOM 0 HG23 THR B 10 -0.084 5.611 -9.826 1.00 0.00 H new ATOM 1017 N GLU B 11 0.754 2.040 -7.283 1.00 0.00 N ATOM 1018 CA GLU B 11 -0.086 0.884 -6.993 1.00 0.00 C ATOM 1019 C GLU B 11 -0.682 0.975 -5.591 1.00 0.00 C ATOM 1020 O GLU B 11 -1.854 0.659 -5.387 1.00 0.00 O ATOM 1021 CB GLU B 11 0.722 -0.410 -7.140 1.00 0.00 C ATOM 1022 CG GLU B 11 0.969 -0.817 -8.585 1.00 0.00 C ATOM 1023 CD GLU B 11 1.525 0.315 -9.427 1.00 0.00 C ATOM 1024 OE1 GLU B 11 2.714 0.658 -9.250 1.00 0.00 O ATOM 1025 OE2 GLU B 11 0.774 0.858 -10.265 1.00 0.00 O ATOM 0 H GLU B 11 1.746 1.824 -7.385 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.906 0.875 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.681 -0.288 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU B 11 0.195 -1.216 -6.630 1.00 0.00 H new ATOM 0 HG2 GLU B 11 1.664 -1.656 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU B 11 0.034 -1.166 -9.024 1.00 0.00 H new ATOM 1032 N LEU B 12 0.127 1.408 -4.625 1.00 0.00 N ATOM 1033 CA LEU B 12 -0.333 1.538 -3.244 1.00 0.00 C ATOM 1034 C LEU B 12 -1.561 2.443 -3.171 1.00 0.00 C ATOM 1035 O LEU B 12 -2.596 2.053 -2.633 1.00 0.00 O ATOM 1036 CB LEU B 12 0.789 2.093 -2.351 1.00 0.00 C ATOM 1037 CG LEU B 12 1.729 1.047 -1.737 1.00 0.00 C ATOM 1038 CD1 LEU B 12 0.957 0.038 -0.890 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.527 0.341 -2.825 1.00 0.00 C ATOM 0 H LEU B 12 1.101 1.674 -4.773 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.608 0.548 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.386 2.790 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.335 2.666 -1.542 1.00 0.00 H new ATOM 0 HG LEU B 12 2.426 1.567 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.651 -0.690 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.443 0.559 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.226 -0.476 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU B 12 3.188 -0.397 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.843 -0.158 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.122 1.072 -3.373 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.446 3.644 -3.732 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.559 4.588 -3.742 1.00 0.00 C ATOM 1053 C LEU B 13 -3.749 3.978 -4.470 1.00 0.00 C ATOM 1054 O LEU B 13 -4.889 4.083 -4.020 1.00 0.00 O ATOM 1055 CB LEU B 13 -2.148 5.891 -4.432 1.00 0.00 C ATOM 1056 CG LEU B 13 -1.040 6.682 -3.732 1.00 0.00 C ATOM 1057 CD1 LEU B 13 -0.641 7.892 -4.569 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -1.483 7.107 -2.335 1.00 0.00 C ATOM 0 H LEU B 13 -0.597 3.985 -4.184 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.838 4.807 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.821 5.658 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -3.027 6.529 -4.520 1.00 0.00 H new ATOM 0 HG LEU B 13 -0.167 6.038 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.148 8.444 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.279 7.558 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -1.506 8.540 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.682 7.668 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -2.371 7.735 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.713 6.222 -1.741 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.470 3.336 -5.597 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.514 2.704 -6.391 1.00 0.00 C ATOM 1072 C GLN B 14 -5.197 1.593 -5.601 1.00 0.00 C ATOM 1073 O GLN B 14 -6.422 1.488 -5.596 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.931 2.139 -7.694 1.00 0.00 C ATOM 1075 CG GLN B 14 -4.959 1.995 -8.814 1.00 0.00 C ATOM 1076 CD GLN B 14 -4.728 0.772 -9.683 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -3.463 0.451 -9.932 1.00 0.00 O flip ATOM 1078 NE2 GLN B 14 -5.676 0.124 -10.126 1.00 0.00 N flip ATOM 0 H GLN B 14 -2.530 3.240 -5.981 1.00 0.00 H new ATOM 0 HA GLN B 14 -5.257 3.463 -6.637 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -3.125 2.790 -8.034 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -3.489 1.164 -7.491 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.957 1.940 -8.378 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.933 2.887 -9.439 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -6.632 0.406 -9.910 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -5.506 -0.695 -10.709 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.392 0.767 -4.936 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.925 -0.334 -4.150 1.00 0.00 C ATOM 1089 C GLY B 15 -5.955 0.109 -3.130 1.00 0.00 C ATOM 1090 O GLY B 15 -6.945 -0.583 -2.893 1.00 0.00 O ATOM 0 H GLY B 15 -3.375 0.841 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.377 -1.066 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -4.105 -0.836 -3.636 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.716 1.264 -2.519 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.622 1.806 -1.512 1.00 0.00 C ATOM 1096 C TYR B 16 -7.825 2.477 -2.170 1.00 0.00 C ATOM 1097 O TYR B 16 -8.967 2.261 -1.767 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.873 2.811 -0.628 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.768 3.618 0.291 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -7.298 3.054 1.443 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -7.079 4.944 0.007 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -8.113 3.785 2.287 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.894 5.682 0.846 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.407 5.098 1.984 1.00 0.00 C ATOM 1105 OH TYR B 16 -9.219 5.828 2.821 1.00 0.00 O ATOM 0 H TYR B 16 -4.899 1.846 -2.704 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.986 0.985 -0.894 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.142 2.273 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.316 3.496 -1.267 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -7.070 2.026 1.684 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.677 5.405 -0.883 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.517 3.330 3.179 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -8.127 6.710 0.611 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.843 5.825 3.726 1.00 0.00 H new ATOM 1115 N THR B 17 -7.555 3.297 -3.178 1.00 0.00 N ATOM 1116 CA THR B 17 -8.606 4.014 -3.891 1.00 0.00 C ATOM 1117 C THR B 17 -9.684 3.068 -4.424 1.00 0.00 C ATOM 1118 O THR B 17 -10.873 3.382 -4.367 1.00 0.00 O ATOM 1119 CB THR B 17 -8.000 4.818 -5.044 1.00 0.00 C ATOM 1120 OG1 THR B 17 -6.821 5.483 -4.623 1.00 0.00 O ATOM 1121 CG2 THR B 17 -8.939 5.865 -5.607 1.00 0.00 C ATOM 0 H THR B 17 -6.613 3.483 -3.522 1.00 0.00 H new ATOM 0 HA THR B 17 -9.083 4.691 -3.182 1.00 0.00 H new ATOM 0 HB THR B 17 -7.788 4.087 -5.825 1.00 0.00 H new ATOM 0 HG1 THR B 17 -6.050 4.891 -4.747 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.445 6.397 -6.420 1.00 0.00 H new ATOM 0 HG22 THR B 17 -9.840 5.381 -5.984 1.00 0.00 H new ATOM 0 HG23 THR B 17 -9.209 6.572 -4.822 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.271 1.918 -4.951 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.225 0.954 -5.496 1.00 0.00 C ATOM 1131 C VAL B 18 -11.204 0.469 -4.430 1.00 0.00 C ATOM 1132 O VAL B 18 -12.339 0.103 -4.736 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.523 -0.271 -6.134 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.794 0.127 -7.409 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.565 -0.935 -5.149 1.00 0.00 C ATOM 0 H VAL B 18 -8.294 1.632 -5.012 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.773 1.484 -6.275 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.293 -0.998 -6.392 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -8.309 -0.749 -7.839 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.508 0.534 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -8.042 0.881 -7.178 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -8.088 -1.791 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.803 -0.218 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.119 -1.271 -4.272 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.762 0.477 -3.173 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.604 0.045 -2.060 1.00 0.00 C ATOM 1147 C GLU B 19 -12.586 1.148 -1.682 1.00 0.00 C ATOM 1148 O GLU B 19 -13.782 0.900 -1.528 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.748 -0.340 -0.850 1.00 0.00 C ATOM 1150 CG GLU B 19 -9.982 -1.644 -1.031 1.00 0.00 C ATOM 1151 CD GLU B 19 -10.847 -2.872 -0.805 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -12.063 -2.802 -1.078 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -10.306 -3.904 -0.355 1.00 0.00 O ATOM 0 H GLU B 19 -9.826 0.778 -2.901 1.00 0.00 H new ATOM 0 HA GLU B 19 -12.166 -0.834 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -10.039 0.463 -0.648 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -11.391 -0.425 0.026 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -9.566 -1.679 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -9.141 -1.665 -0.338 1.00 0.00 H new ATOM 1160 N VAL B 20 -12.077 2.372 -1.548 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.916 3.516 -1.206 1.00 0.00 C ATOM 1162 C VAL B 20 -14.122 3.580 -2.136 1.00 0.00 C ATOM 1163 O VAL B 20 -15.257 3.741 -1.694 1.00 0.00 O ATOM 1164 CB VAL B 20 -12.125 4.843 -1.298 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -12.965 6.022 -0.810 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -10.819 4.746 -0.512 1.00 0.00 C ATOM 0 H VAL B 20 -11.089 2.595 -1.671 1.00 0.00 H new ATOM 0 HA VAL B 20 -13.252 3.385 -0.177 1.00 0.00 H new ATOM 0 HB VAL B 20 -11.883 5.018 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.383 6.940 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -13.862 6.109 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.251 5.859 0.229 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -10.277 5.689 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.039 4.538 0.535 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.207 3.942 -0.921 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.861 3.451 -3.428 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.918 3.489 -4.428 1.00 0.00 C ATOM 1178 C LEU B 21 -15.907 2.341 -4.223 1.00 0.00 C ATOM 1179 O LEU B 21 -17.117 2.514 -4.371 1.00 0.00 O ATOM 1180 CB LEU B 21 -14.316 3.412 -5.835 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.458 4.619 -6.242 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -12.443 4.224 -7.307 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -14.335 5.760 -6.739 1.00 0.00 C ATOM 0 H LEU B 21 -12.924 3.319 -3.809 1.00 0.00 H new ATOM 0 HA LEU B 21 -15.456 4.431 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.705 2.512 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -15.127 3.303 -6.555 1.00 0.00 H new ATOM 0 HG LEU B 21 -12.915 4.962 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -11.846 5.094 -7.581 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -11.790 3.444 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -12.966 3.851 -8.188 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -13.707 6.605 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -14.908 5.428 -7.605 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -15.018 6.065 -5.947 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.374 1.163 -3.902 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.194 -0.032 -3.699 1.00 0.00 C ATOM 1197 C ARG B 22 -16.913 -0.048 -2.346 1.00 0.00 C ATOM 1198 O ARG B 22 -17.965 -0.674 -2.214 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.323 -1.289 -3.808 1.00 0.00 C ATOM 1200 CG ARG B 22 -14.624 -1.457 -5.156 1.00 0.00 C ATOM 1201 CD ARG B 22 -15.399 -2.372 -6.095 1.00 0.00 C ATOM 1202 NE ARG B 22 -16.611 -1.737 -6.608 1.00 0.00 N ATOM 1203 CZ ARG B 22 -17.549 -2.379 -7.300 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -17.416 -3.671 -7.576 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -18.623 -1.726 -7.723 1.00 0.00 N ATOM 0 H ARG B 22 -14.373 1.010 -3.776 1.00 0.00 H new ATOM 0 HA ARG B 22 -16.957 -0.016 -4.478 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -14.568 -1.263 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -15.945 -2.165 -3.623 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -14.500 -0.480 -5.623 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -13.625 -1.864 -4.997 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -14.760 -2.659 -6.930 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.666 -3.288 -5.569 1.00 0.00 H new ATOM 0 HE ARG B 22 -16.746 -0.743 -6.425 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -16.591 -4.178 -7.257 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -18.139 -4.156 -8.107 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -18.730 -0.733 -7.518 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -19.342 -2.217 -8.253 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.337 0.607 -1.336 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.931 0.617 0.007 1.00 0.00 C ATOM 1221 C GLN B 23 -17.533 1.975 0.354 1.00 0.00 C ATOM 1222 O GLN B 23 -18.654 2.055 0.853 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.872 0.232 1.048 1.00 0.00 C ATOM 1224 CG GLN B 23 -16.453 -0.391 2.309 1.00 0.00 C ATOM 1225 CD GLN B 23 -16.942 -1.810 2.084 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -16.232 -2.639 1.513 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -18.160 -2.100 2.532 1.00 0.00 N ATOM 0 H GLN B 23 -15.467 1.134 -1.418 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.740 -0.114 0.017 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -15.170 -0.469 0.597 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -15.303 1.121 1.321 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -15.695 -0.391 3.093 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -17.280 0.223 2.666 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -18.715 -1.384 3.000 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -18.539 -3.039 2.408 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.776 3.034 0.099 1.00 0.00 N ATOM 1237 CA GLN B 24 -17.227 4.389 0.393 1.00 0.00 C ATOM 1238 C GLN B 24 -17.364 4.593 1.905 1.00 0.00 C ATOM 1239 O GLN B 24 -18.469 4.777 2.416 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.564 4.686 -0.303 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.608 4.265 -1.767 1.00 0.00 C ATOM 1242 CD GLN B 24 -17.824 5.197 -2.670 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -17.172 6.130 -2.204 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -17.882 4.943 -3.973 1.00 0.00 N ATOM 0 H GLN B 24 -15.844 2.981 -0.312 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.478 5.083 0.010 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.363 4.176 0.235 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.767 5.755 -0.237 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -18.210 3.255 -1.862 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -19.645 4.232 -2.100 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -18.436 4.158 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -17.373 5.533 -4.631 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.239 4.554 2.644 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.239 4.724 4.105 1.00 0.00 C ATOM 1255 C PRO B 25 -16.512 6.170 4.525 1.00 0.00 C ATOM 1256 O PRO B 25 -16.331 7.095 3.731 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.819 4.308 4.503 1.00 0.00 C ATOM 1258 CG PRO B 25 -13.998 4.626 3.304 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.877 4.332 2.120 1.00 0.00 C ATOM 0 HA PRO B 25 -17.023 4.139 4.586 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.474 4.857 5.379 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.769 3.248 4.751 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.685 5.670 3.310 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -13.091 4.021 3.278 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.656 4.992 1.281 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.744 3.310 1.765 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.944 6.394 5.784 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.225 7.744 6.284 1.00 0.00 C ATOM 1269 C PRO B 26 -15.987 8.633 6.248 1.00 0.00 C ATOM 1270 O PRO B 26 -16.069 9.813 5.904 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.683 7.515 7.734 1.00 0.00 C ATOM 1272 CG PRO B 26 -18.076 6.079 7.795 1.00 0.00 C ATOM 1273 CD PRO B 26 -17.187 5.368 6.816 1.00 0.00 C ATOM 0 HA PRO B 26 -17.969 8.257 5.674 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -16.882 7.735 8.440 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.520 8.164 7.990 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -17.946 5.681 8.801 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -19.126 5.950 7.534 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -16.259 5.035 7.281 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -17.670 4.484 6.400 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.839 8.057 6.608 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.574 8.792 6.622 1.00 0.00 C ATOM 1283 C ASP B 27 -12.479 7.992 5.933 1.00 0.00 C ATOM 1284 O ASP B 27 -12.286 6.811 6.220 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.161 9.113 8.058 1.00 0.00 C ATOM 1286 CG ASP B 27 -14.154 10.022 8.755 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -14.087 11.250 8.540 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -15.001 9.505 9.515 1.00 0.00 O ATOM 0 H ASP B 27 -14.760 7.081 6.894 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.717 9.725 6.078 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.064 8.185 8.622 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.179 9.587 8.054 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.763 8.644 5.023 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.685 7.992 4.292 1.00 0.00 C ATOM 1295 C LEU B 28 -9.446 7.850 5.174 1.00 0.00 C ATOM 1296 O LEU B 28 -8.890 6.760 5.303 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.360 8.779 3.020 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.209 8.419 1.798 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -12.665 8.792 2.030 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -10.671 9.111 0.555 1.00 0.00 C ATOM 0 H LEU B 28 -11.910 9.622 4.775 1.00 0.00 H new ATOM 0 HA LEU B 28 -11.011 6.992 4.006 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.483 9.842 3.228 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.310 8.622 2.773 1.00 0.00 H new ATOM 0 HG LEU B 28 -11.152 7.341 1.644 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -13.253 8.529 1.151 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -13.046 8.251 2.896 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -12.742 9.864 2.210 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -11.286 8.844 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -10.698 10.191 0.699 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -9.643 8.794 0.378 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.021 8.955 5.791 1.00 0.00 N ATOM 1313 CA VAL B 29 -7.854 8.936 6.668 1.00 0.00 C ATOM 1314 C VAL B 29 -7.957 7.781 7.660 1.00 0.00 C ATOM 1315 O VAL B 29 -6.952 7.182 8.044 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.709 10.267 7.443 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -8.941 10.526 8.302 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -6.439 10.275 8.291 1.00 0.00 C ATOM 0 H VAL B 29 -9.466 9.868 5.699 1.00 0.00 H new ATOM 0 HA VAL B 29 -6.973 8.803 6.041 1.00 0.00 H new ATOM 0 HB VAL B 29 -7.626 11.074 6.715 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -8.819 11.467 8.839 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -9.823 10.584 7.665 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -9.063 9.713 9.018 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -6.364 11.223 8.824 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -6.476 9.456 9.010 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -5.570 10.152 7.645 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.187 7.467 8.059 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.437 6.376 8.992 1.00 0.00 C ATOM 1330 C GLU B 30 -9.344 5.034 8.275 1.00 0.00 C ATOM 1331 O GLU B 30 -8.569 4.162 8.664 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.818 6.534 9.635 1.00 0.00 C ATOM 1333 CG GLU B 30 -11.043 5.620 10.829 1.00 0.00 C ATOM 1334 CD GLU B 30 -12.494 5.583 11.271 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -13.253 4.744 10.743 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -12.869 6.392 12.145 1.00 0.00 O ATOM 0 H GLU B 30 -10.027 7.955 7.749 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.679 6.408 9.775 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.946 7.569 9.952 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.583 6.333 8.885 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -10.719 4.611 10.575 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.422 5.955 11.660 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.135 4.880 7.218 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.138 3.648 6.437 1.00 0.00 C ATOM 1345 C PHE B 31 -8.747 3.346 5.876 1.00 0.00 C ATOM 1346 O PHE B 31 -8.415 2.192 5.603 1.00 0.00 O ATOM 1347 CB PHE B 31 -11.153 3.758 5.297 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.275 2.507 4.471 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -11.675 1.316 5.054 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -10.991 2.521 3.114 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -11.788 0.163 4.302 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.101 1.371 2.356 1.00 0.00 C ATOM 1353 CZ PHE B 31 -11.500 0.191 2.951 1.00 0.00 C ATOM 0 H PHE B 31 -10.782 5.593 6.882 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.421 2.827 7.095 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -12.129 4.003 5.715 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.867 4.585 4.647 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -11.901 1.289 6.110 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.680 3.442 2.644 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.101 -0.759 4.769 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -10.875 1.395 1.300 1.00 0.00 H new ATOM 0 HZ PHE B 31 -11.587 -0.709 2.361 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.942 4.391 5.699 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.589 4.246 5.162 1.00 0.00 C ATOM 1365 C ALA B 32 -5.606 3.734 6.206 1.00 0.00 C ATOM 1366 O ALA B 32 -4.809 2.838 5.927 1.00 0.00 O ATOM 1367 CB ALA B 32 -6.110 5.569 4.592 1.00 0.00 C ATOM 0 H ALA B 32 -8.204 5.352 5.920 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.632 3.501 4.367 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -5.102 5.450 4.195 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.780 5.885 3.792 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -6.104 6.323 5.379 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.649 4.308 7.401 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.739 3.899 8.464 1.00 0.00 C ATOM 1375 C VAL B 33 -4.833 2.395 8.719 1.00 0.00 C ATOM 1376 O VAL B 33 -3.841 1.747 9.053 1.00 0.00 O ATOM 1377 CB VAL B 33 -4.992 4.691 9.776 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -5.978 3.972 10.690 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -3.680 4.958 10.502 1.00 0.00 C ATOM 0 H VAL B 33 -6.298 5.052 7.658 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.728 4.130 8.128 1.00 0.00 H new ATOM 0 HB VAL B 33 -5.439 5.646 9.502 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.128 4.558 11.597 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -6.931 3.851 10.174 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -5.581 2.992 10.954 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -3.878 5.514 11.419 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.201 4.010 10.749 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -3.021 5.541 9.859 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.035 1.846 8.555 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.271 0.419 8.762 1.00 0.00 C ATOM 1391 C GLU B 34 -5.787 -0.402 7.565 1.00 0.00 C ATOM 1392 O GLU B 34 -5.135 -1.431 7.728 1.00 0.00 O ATOM 1393 CB GLU B 34 -7.763 0.160 9.001 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.252 0.623 10.363 1.00 0.00 C ATOM 1395 CD GLU B 34 -7.643 -0.170 11.502 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -6.551 0.211 11.975 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -8.259 -1.173 11.922 1.00 0.00 O ATOM 0 H GLU B 34 -6.864 2.371 8.278 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.705 0.109 9.640 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.339 0.666 8.226 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -7.959 -0.907 8.898 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -8.012 1.679 10.491 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -9.338 0.535 10.404 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.120 0.063 6.366 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.732 -0.626 5.137 1.00 0.00 C ATOM 1406 C TYR B 35 -4.216 -0.777 5.039 1.00 0.00 C ATOM 1407 O TYR B 35 -3.715 -1.861 4.739 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.265 0.135 3.919 1.00 0.00 C ATOM 1409 CG TYR B 35 -5.860 -0.471 2.590 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -4.613 -0.204 2.038 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -6.723 -1.305 1.887 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -4.238 -0.750 0.825 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -6.355 -1.854 0.673 1.00 0.00 C ATOM 1414 CZ TYR B 35 -5.112 -1.573 0.147 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.742 -2.118 -1.062 1.00 0.00 O ATOM 0 H TYR B 35 -6.659 0.916 6.217 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.168 -1.625 5.158 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.353 0.172 3.974 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.909 1.164 3.961 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -3.926 0.441 2.565 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -7.697 -1.527 2.297 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -3.265 -0.533 0.410 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -7.037 -2.499 0.140 1.00 0.00 H new ATOM 0 HH TYR B 35 -5.471 -2.674 -1.407 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.486 0.304 5.277 1.00 0.00 N ATOM 1426 CA PHE B 36 -2.028 0.270 5.196 1.00 0.00 C ATOM 1427 C PHE B 36 -1.427 -0.600 6.299 1.00 0.00 C ATOM 1428 O PHE B 36 -0.462 -1.329 6.065 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.462 1.691 5.260 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.614 2.446 3.966 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.920 2.043 2.837 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.448 3.552 3.875 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -1.051 2.726 1.643 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.583 4.238 2.682 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.884 3.825 1.566 1.00 0.00 C ATOM 0 H PHE B 36 -3.875 1.213 5.527 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.754 -0.176 4.240 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -1.965 2.241 6.056 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.406 1.643 5.524 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -0.268 1.184 2.891 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -2.997 3.880 4.745 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -0.503 2.401 0.771 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -3.235 5.097 2.624 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.988 4.360 0.634 1.00 0.00 H new ATOM 1445 N THR B 37 -1.997 -0.530 7.498 1.00 0.00 N ATOM 1446 CA THR B 37 -1.502 -1.326 8.618 1.00 0.00 C ATOM 1447 C THR B 37 -1.717 -2.815 8.352 1.00 0.00 C ATOM 1448 O THR B 37 -0.908 -3.652 8.750 1.00 0.00 O ATOM 1449 CB THR B 37 -2.196 -0.913 9.919 1.00 0.00 C ATOM 1450 OG1 THR B 37 -3.603 -0.924 9.760 1.00 0.00 O ATOM 1451 CG2 THR B 37 -1.797 0.468 10.402 1.00 0.00 C ATOM 0 H THR B 37 -2.796 0.064 7.719 1.00 0.00 H new ATOM 0 HA THR B 37 -0.433 -1.143 8.723 1.00 0.00 H new ATOM 0 HB THR B 37 -1.876 -1.644 10.662 1.00 0.00 H new ATOM 0 HG1 THR B 37 -3.827 -1.195 8.845 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.326 0.697 11.327 1.00 0.00 H new ATOM 0 HG22 THR B 37 -0.722 0.494 10.582 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.056 1.207 9.644 1.00 0.00 H new ATOM 1459 N ARG B 38 -2.810 -3.132 7.662 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.124 -4.518 7.327 1.00 0.00 C ATOM 1461 C ARG B 38 -1.999 -5.116 6.484 1.00 0.00 C ATOM 1462 O ARG B 38 -1.619 -6.273 6.665 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.458 -4.606 6.573 1.00 0.00 C ATOM 1464 CG ARG B 38 -5.683 -4.580 7.480 1.00 0.00 C ATOM 1465 CD ARG B 38 -5.746 -5.798 8.399 1.00 0.00 C ATOM 1466 NE ARG B 38 -5.252 -5.495 9.742 1.00 0.00 N ATOM 1467 CZ ARG B 38 -5.391 -6.308 10.786 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -5.994 -7.483 10.649 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -4.923 -5.946 11.973 1.00 0.00 N ATOM 0 H ARG B 38 -3.490 -2.451 7.325 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.218 -5.087 8.252 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -4.522 -3.776 5.869 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.472 -5.524 5.986 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.667 -3.672 8.083 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -6.585 -4.541 6.869 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -6.775 -6.152 8.462 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -5.156 -6.608 7.969 1.00 0.00 H new ATOM 0 HE ARG B 38 -4.772 -4.607 9.887 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -6.355 -7.768 9.738 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -6.097 -8.101 11.454 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -4.457 -5.045 12.085 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -5.029 -6.568 12.774 1.00 0.00 H new ATOM 1483 N LEU B 39 -1.471 -4.314 5.565 1.00 0.00 N ATOM 1484 CA LEU B 39 -0.387 -4.754 4.693 1.00 0.00 C ATOM 1485 C LEU B 39 0.898 -4.954 5.494 1.00 0.00 C ATOM 1486 O LEU B 39 1.487 -6.034 5.478 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.157 -3.737 3.572 1.00 0.00 C ATOM 1488 CG LEU B 39 -1.304 -3.612 2.560 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -1.131 -2.365 1.705 1.00 0.00 C ATOM 1490 CD2 LEU B 39 -1.387 -4.857 1.682 1.00 0.00 C ATOM 0 H LEU B 39 -1.777 -3.354 5.404 1.00 0.00 H new ATOM 0 HA LEU B 39 -0.671 -5.708 4.248 1.00 0.00 H new ATOM 0 HB2 LEU B 39 0.019 -2.759 4.020 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.752 -4.010 3.036 1.00 0.00 H new ATOM 0 HG LEU B 39 -2.239 -3.522 3.114 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -1.954 -2.294 0.994 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.128 -1.483 2.345 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -0.187 -2.424 1.163 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -2.207 -4.747 0.972 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -0.450 -4.982 1.139 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -1.563 -5.732 2.307 1.00 0.00 H new ATOM 1502 N ARG B 40 1.325 -3.908 6.196 1.00 0.00 N ATOM 1503 CA ARG B 40 2.539 -3.975 7.008 1.00 0.00 C ATOM 1504 C ARG B 40 2.485 -5.163 7.971 1.00 0.00 C ATOM 1505 O ARG B 40 3.390 -5.997 7.994 1.00 0.00 O ATOM 1506 CB ARG B 40 2.733 -2.664 7.791 1.00 0.00 C ATOM 1507 CG ARG B 40 3.724 -1.704 7.146 1.00 0.00 C ATOM 1508 CD ARG B 40 5.164 -2.106 7.430 1.00 0.00 C ATOM 1509 NE ARG B 40 5.549 -1.817 8.808 1.00 0.00 N ATOM 1510 CZ ARG B 40 6.782 -1.975 9.283 1.00 0.00 C ATOM 1511 NH1 ARG B 40 7.752 -2.425 8.496 1.00 0.00 N ATOM 1512 NH2 ARG B 40 7.046 -1.684 10.550 1.00 0.00 N ATOM 0 H ARG B 40 0.851 -3.005 6.220 1.00 0.00 H new ATOM 0 HA ARG B 40 3.388 -4.114 6.339 1.00 0.00 H new ATOM 0 HB2 ARG B 40 1.769 -2.165 7.890 1.00 0.00 H new ATOM 0 HB3 ARG B 40 3.074 -2.901 8.799 1.00 0.00 H new ATOM 0 HG2 ARG B 40 3.559 -1.680 6.069 1.00 0.00 H new ATOM 0 HG3 ARG B 40 3.548 -0.695 7.518 1.00 0.00 H new ATOM 0 HD2 ARG B 40 5.289 -3.171 7.234 1.00 0.00 H new ATOM 0 HD3 ARG B 40 5.830 -1.576 6.749 1.00 0.00 H new ATOM 0 HE ARG B 40 4.830 -1.473 9.445 1.00 0.00 H new ATOM 0 HH11 ARG B 40 7.554 -2.652 7.521 1.00 0.00 H new ATOM 0 HH12 ARG B 40 8.695 -2.544 8.866 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.304 -1.339 11.159 1.00 0.00 H new ATOM 0 HH22 ARG B 40 7.991 -1.805 10.915 1.00 0.00 H new ATOM 1754 N GLU C 591 -13.919 -3.785 -14.088 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.377 -2.856 -15.078 1.00 0.00 C ATOM 1756 C GLU C 591 -13.524 -1.385 -14.673 1.00 0.00 C ATOM 1757 O GLU C 591 -12.531 -0.718 -14.379 1.00 0.00 O ATOM 1758 CB GLU C 591 -14.056 -3.088 -16.432 1.00 0.00 C ATOM 1759 CG GLU C 591 -13.655 -4.392 -17.102 1.00 0.00 C ATOM 1760 CD GLU C 591 -13.951 -5.606 -16.243 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -15.139 -5.974 -16.122 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -12.996 -6.190 -15.690 1.00 0.00 O ATOM 0 HA GLU C 591 -12.308 -3.059 -15.146 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -15.137 -3.079 -16.292 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -13.814 -2.259 -17.097 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -14.183 -4.486 -18.051 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -12.590 -4.365 -17.332 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.754 -0.872 -14.694 1.00 0.00 N ATOM 1770 CA GLU C 592 -15.028 0.531 -14.373 1.00 0.00 C ATOM 1771 C GLU C 592 -14.361 1.004 -13.080 1.00 0.00 C ATOM 1772 O GLU C 592 -13.985 2.170 -12.964 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.538 0.754 -14.290 1.00 0.00 C ATOM 1774 CG GLU C 592 -17.239 0.646 -15.634 1.00 0.00 C ATOM 1775 CD GLU C 592 -18.741 0.809 -15.520 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -19.187 1.649 -14.710 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -19.471 0.095 -16.239 1.00 0.00 O ATOM 0 H GLU C 592 -15.585 -1.413 -14.932 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.596 1.126 -15.178 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -16.968 0.024 -13.604 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.729 1.740 -13.867 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -16.844 1.406 -16.308 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -17.015 -0.323 -16.080 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.216 0.106 -12.113 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.591 0.461 -10.841 1.00 0.00 C ATOM 1786 C ILE C 593 -12.093 0.670 -11.012 1.00 0.00 C ATOM 1787 O ILE C 593 -11.478 1.431 -10.265 1.00 0.00 O ATOM 1788 CB ILE C 593 -13.842 -0.609 -9.752 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.328 -0.635 -9.357 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -12.961 -0.362 -8.526 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.754 0.507 -8.451 1.00 0.00 C ATOM 0 H ILE C 593 -14.519 -0.865 -12.182 1.00 0.00 H new ATOM 0 HA ILE C 593 -14.052 1.393 -10.515 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.576 -1.582 -10.165 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -15.933 -0.610 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.542 -1.579 -8.857 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -13.158 -1.128 -7.776 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -11.912 -0.401 -8.818 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -13.185 0.620 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.815 0.413 -8.221 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -15.178 0.472 -7.526 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.575 1.457 -8.954 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.505 0.000 -11.999 1.00 0.00 N ATOM 1804 CA TRP C 594 -10.080 0.133 -12.255 1.00 0.00 C ATOM 1805 C TRP C 594 -9.773 1.405 -13.021 1.00 0.00 C ATOM 1806 O TRP C 594 -8.854 2.145 -12.669 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.546 -1.076 -13.022 1.00 0.00 C ATOM 1808 CG TRP C 594 -8.054 -1.086 -13.100 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.282 -0.575 -14.100 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -7.155 -1.622 -12.127 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -5.952 -0.756 -13.807 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.850 -1.401 -12.599 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -7.331 -2.266 -10.902 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.723 -1.805 -11.884 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -6.217 -2.666 -10.195 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.929 -2.433 -10.685 1.00 0.00 C ATOM 0 H TRP C 594 -11.993 -0.636 -12.630 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.581 0.184 -11.287 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.888 -1.991 -12.538 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -9.960 -1.075 -14.030 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -7.660 -0.098 -14.992 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.169 -0.460 -14.390 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -8.322 -2.448 -10.514 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.726 -1.629 -12.261 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -6.342 -3.168 -9.247 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -4.077 -2.756 -10.105 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.550 1.670 -14.059 1.00 0.00 N ATOM 1828 CA LYS C 595 -10.356 2.872 -14.851 1.00 0.00 C ATOM 1829 C LYS C 595 -10.448 4.099 -13.953 1.00 0.00 C ATOM 1830 O LYS C 595 -9.630 5.013 -14.050 1.00 0.00 O ATOM 1831 CB LYS C 595 -11.399 2.958 -15.967 1.00 0.00 C ATOM 1832 CG LYS C 595 -11.597 1.651 -16.726 1.00 0.00 C ATOM 1833 CD LYS C 595 -12.262 1.874 -18.077 1.00 0.00 C ATOM 1834 CE LYS C 595 -13.522 2.716 -17.955 1.00 0.00 C ATOM 1835 NZ LYS C 595 -14.319 2.708 -19.212 1.00 0.00 N ATOM 0 H LYS C 595 -11.316 1.073 -14.371 1.00 0.00 H new ATOM 0 HA LYS C 595 -9.367 2.833 -15.309 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -12.352 3.266 -15.538 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -11.101 3.735 -16.671 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -10.632 1.166 -16.872 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -12.207 0.973 -16.129 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -11.560 2.366 -18.751 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -12.510 0.911 -18.523 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -14.133 2.338 -17.135 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -13.251 3.741 -17.704 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -15.170 3.293 -19.088 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -13.745 3.092 -19.989 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -14.600 1.733 -19.439 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.466 4.128 -13.098 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.677 5.266 -12.207 1.00 0.00 C ATOM 1851 C LYS C 596 -10.577 5.386 -11.153 1.00 0.00 C ATOM 1852 O LYS C 596 -9.896 6.409 -11.084 1.00 0.00 O ATOM 1853 CB LYS C 596 -13.057 5.167 -11.520 1.00 0.00 C ATOM 1854 CG LYS C 596 -14.034 6.264 -11.929 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.578 6.041 -13.331 1.00 0.00 C ATOM 1856 CE LYS C 596 -15.355 7.250 -13.827 1.00 0.00 C ATOM 1857 NZ LYS C 596 -16.123 6.947 -15.066 1.00 0.00 N ATOM 0 H LYS C 596 -12.155 3.382 -13.003 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.643 6.164 -12.823 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -13.498 4.197 -11.751 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -12.917 5.204 -10.440 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -14.861 6.298 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -13.534 7.232 -11.883 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -13.754 5.832 -14.013 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -15.226 5.164 -13.336 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -16.040 7.586 -13.048 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -14.665 8.071 -14.020 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -16.639 7.797 -15.371 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -15.467 6.651 -15.817 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -16.800 6.181 -14.876 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.404 4.356 -10.315 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.393 4.386 -9.263 1.00 0.00 C ATOM 1873 C ALA C 597 -8.024 4.817 -9.790 1.00 0.00 C ATOM 1874 O ALA C 597 -7.274 5.505 -9.100 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.292 3.018 -8.605 1.00 0.00 C ATOM 0 H ALA C 597 -10.952 3.496 -10.349 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.706 5.127 -8.527 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.536 3.047 -7.821 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -10.255 2.751 -8.171 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -9.012 2.275 -9.352 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.704 4.402 -11.015 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.422 4.739 -11.630 1.00 0.00 C ATOM 1883 C GLU C 598 -6.318 6.242 -11.891 1.00 0.00 C ATOM 1884 O GLU C 598 -5.257 6.837 -11.698 1.00 0.00 O ATOM 1885 CB GLU C 598 -6.230 3.946 -12.933 1.00 0.00 C ATOM 1886 CG GLU C 598 -5.672 2.544 -12.725 1.00 0.00 C ATOM 1887 CD GLU C 598 -5.114 1.945 -14.002 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -5.906 1.701 -14.938 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -3.888 1.718 -14.065 1.00 0.00 O ATOM 0 H GLU C 598 -8.315 3.832 -11.600 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.627 4.464 -10.936 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -7.188 3.873 -13.447 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -5.558 4.500 -13.589 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -4.887 2.577 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -6.459 1.897 -12.338 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.416 6.858 -12.313 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.427 8.295 -12.574 1.00 0.00 C ATOM 1898 C GLU C 599 -7.099 9.065 -11.294 1.00 0.00 C ATOM 1899 O GLU C 599 -6.326 10.022 -11.318 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.790 8.731 -13.120 1.00 0.00 C ATOM 1901 CG GLU C 599 -9.066 8.242 -14.533 1.00 0.00 C ATOM 1902 CD GLU C 599 -8.282 9.008 -15.583 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -7.400 9.806 -15.204 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -8.553 8.808 -16.786 1.00 0.00 O ATOM 0 H GLU C 599 -8.306 6.389 -12.481 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.668 8.518 -13.324 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -9.572 8.361 -12.457 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -8.847 9.819 -13.104 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -8.818 7.183 -14.601 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -10.132 8.334 -14.743 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.693 8.647 -10.183 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.463 9.306 -8.899 1.00 0.00 C ATOM 1913 C ALA C 600 -5.978 9.397 -8.564 1.00 0.00 C ATOM 1914 O ALA C 600 -5.503 10.430 -8.094 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.207 8.575 -7.793 1.00 0.00 C ATOM 0 H ALA C 600 -8.337 7.857 -10.143 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.845 10.324 -8.979 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -8.028 9.076 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.275 8.579 -8.009 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.852 7.546 -7.734 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.250 8.308 -8.791 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.824 8.277 -8.492 1.00 0.00 C ATOM 1923 C VAL C 601 -3.019 9.108 -9.483 1.00 0.00 C ATOM 1924 O VAL C 601 -2.111 9.832 -9.097 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.263 6.839 -8.469 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.849 6.834 -7.905 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -4.169 5.924 -7.657 1.00 0.00 C ATOM 0 H VAL C 601 -5.622 7.441 -9.179 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.721 8.709 -7.496 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.229 6.463 -9.491 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.465 5.814 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.207 7.457 -8.528 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.861 7.228 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.757 4.915 -7.652 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -4.236 6.293 -6.634 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.164 5.908 -8.103 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.370 9.011 -10.760 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.680 9.766 -11.801 1.00 0.00 C ATOM 1939 C ASN C 602 -2.854 11.264 -11.584 1.00 0.00 C ATOM 1940 O ASN C 602 -1.897 12.031 -11.681 1.00 0.00 O ATOM 1941 CB ASN C 602 -3.206 9.369 -13.181 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.846 7.941 -13.549 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -3.016 7.022 -12.747 1.00 0.00 O ATOM 1944 ND2 ASN C 602 -2.345 7.745 -14.763 1.00 0.00 N ATOM 0 H ASN C 602 -4.127 8.418 -11.100 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.617 9.531 -11.748 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -4.290 9.484 -13.201 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -2.800 10.048 -13.931 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -2.085 6.805 -15.062 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -2.220 8.534 -15.397 1.00 0.00 H new ATOM 1951 N GLU C 603 -4.078 11.673 -11.290 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.376 13.079 -11.059 1.00 0.00 C ATOM 1953 C GLU C 603 -3.660 13.594 -9.815 1.00 0.00 C ATOM 1954 O GLU C 603 -2.954 14.600 -9.879 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.888 13.279 -10.917 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.645 13.160 -12.232 1.00 0.00 C ATOM 1957 CD GLU C 603 -6.548 14.413 -13.082 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -5.432 14.734 -13.542 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -7.590 15.072 -13.288 1.00 0.00 O ATOM 0 H GLU C 603 -4.882 11.051 -11.205 1.00 0.00 H new ATOM 0 HA GLU C 603 -4.018 13.648 -11.917 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.279 12.543 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -6.077 14.262 -10.486 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -6.254 12.313 -12.796 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -7.694 12.948 -12.024 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.851 12.930 -8.678 1.00 0.00 N ATOM 1967 CA VAL C 604 -3.226 13.363 -7.435 1.00 0.00 C ATOM 1968 C VAL C 604 -1.705 13.201 -7.454 1.00 0.00 C ATOM 1969 O VAL C 604 -0.986 13.925 -6.767 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.820 12.637 -6.213 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -3.200 11.256 -6.017 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -3.647 13.495 -4.972 1.00 0.00 C ATOM 0 H VAL C 604 -4.430 12.095 -8.593 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.445 14.427 -7.347 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.884 12.482 -6.392 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -3.646 10.777 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.385 10.645 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -2.125 11.358 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -4.069 12.978 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -2.586 13.679 -4.802 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -4.162 14.445 -5.112 1.00 0.00 H new ATOM 1982 N LYS C 605 -1.223 12.246 -8.247 1.00 0.00 N ATOM 1983 CA LYS C 605 0.206 11.985 -8.361 1.00 0.00 C ATOM 1984 C LYS C 605 0.865 13.065 -9.206 1.00 0.00 C ATOM 1985 O LYS C 605 1.833 13.694 -8.784 1.00 0.00 O ATOM 1986 CB LYS C 605 0.440 10.602 -8.977 1.00 0.00 C ATOM 1987 CG LYS C 605 1.908 10.225 -9.130 1.00 0.00 C ATOM 1988 CD LYS C 605 2.153 9.372 -10.371 1.00 0.00 C ATOM 1989 CE LYS C 605 1.499 7.999 -10.267 1.00 0.00 C ATOM 1990 NZ LYS C 605 0.129 7.991 -10.847 1.00 0.00 N ATOM 0 H LYS C 605 -1.807 11.638 -8.822 1.00 0.00 H new ATOM 0 HA LYS C 605 0.652 12.001 -7.367 1.00 0.00 H new ATOM 0 HB2 LYS C 605 -0.053 9.853 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS C 605 -0.036 10.568 -9.957 1.00 0.00 H new ATOM 0 HG2 LYS C 605 2.511 11.131 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS C 605 2.236 9.680 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS C 605 1.766 9.891 -11.248 1.00 0.00 H new ATOM 0 HD3 LYS C 605 3.226 9.251 -10.520 1.00 0.00 H new ATOM 0 HE2 LYS C 605 2.116 7.263 -10.783 1.00 0.00 H new ATOM 0 HE3 LYS C 605 1.452 7.698 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 -0.128 7.020 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 -0.548 8.346 -10.142 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 0.105 8.601 -11.689 1.00 0.00 H new ATOM 2004 N ARG C 606 0.316 13.290 -10.389 1.00 0.00 N ATOM 2005 CA ARG C 606 0.842 14.318 -11.275 1.00 0.00 C ATOM 2006 C ARG C 606 0.786 15.680 -10.584 1.00 0.00 C ATOM 2007 O ARG C 606 1.530 16.596 -10.932 1.00 0.00 O ATOM 2008 CB ARG C 606 0.043 14.363 -12.579 1.00 0.00 C ATOM 2009 CG ARG C 606 0.713 15.186 -13.674 1.00 0.00 C ATOM 2010 CD ARG C 606 -0.251 15.544 -14.807 1.00 0.00 C ATOM 2011 NE ARG C 606 -0.313 16.988 -15.036 1.00 0.00 N ATOM 2012 CZ ARG C 606 0.669 17.693 -15.592 1.00 0.00 C ATOM 2013 NH1 ARG C 606 1.809 17.105 -15.933 1.00 0.00 N ATOM 2014 NH2 ARG C 606 0.515 18.994 -15.798 1.00 0.00 N ATOM 0 H ARG C 606 -0.487 12.780 -10.757 1.00 0.00 H new ATOM 0 HA ARG C 606 1.879 14.077 -11.510 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -0.106 13.345 -12.940 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -0.945 14.777 -12.377 1.00 0.00 H new ATOM 0 HG2 ARG C 606 1.117 16.101 -13.241 1.00 0.00 H new ATOM 0 HG3 ARG C 606 1.556 14.627 -14.081 1.00 0.00 H new ATOM 0 HD2 ARG C 606 0.064 15.045 -15.723 1.00 0.00 H new ATOM 0 HD3 ARG C 606 -1.247 15.171 -14.567 1.00 0.00 H new ATOM 0 HE ARG C 606 -1.159 17.483 -14.753 1.00 0.00 H new ATOM 0 HH11 ARG C 606 1.937 16.106 -15.769 1.00 0.00 H new ATOM 0 HH12 ARG C 606 2.557 17.652 -16.359 1.00 0.00 H new ATOM 0 HH21 ARG C 606 -0.356 19.453 -15.530 1.00 0.00 H new ATOM 0 HH22 ARG C 606 1.267 19.535 -16.224 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.117 15.808 -9.613 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.289 17.061 -8.882 1.00 0.00 C ATOM 2030 C GLN C 607 0.784 17.285 -7.806 1.00 0.00 C ATOM 2031 O GLN C 607 1.384 18.359 -7.755 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.685 17.109 -8.245 1.00 0.00 C ATOM 2033 CG GLN C 607 -2.766 17.627 -9.183 1.00 0.00 C ATOM 2034 CD GLN C 607 -4.129 17.698 -8.524 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -4.570 18.766 -8.100 1.00 0.00 O ATOM 2036 NE2 GLN C 607 -4.805 16.559 -8.434 1.00 0.00 N ATOM 0 H GLN C 607 -0.741 15.058 -9.315 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.179 17.866 -9.609 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -1.956 16.108 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -1.649 17.744 -7.360 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -2.487 18.619 -9.539 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -2.823 16.979 -10.057 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -4.401 15.696 -8.799 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -5.728 16.547 -8.000 1.00 0.00 H new ATOM 2045 N ALA C 608 1.023 16.296 -6.928 1.00 0.00 N ATOM 2046 CA ALA C 608 2.014 16.443 -5.855 1.00 0.00 C ATOM 2047 C ALA C 608 3.338 17.010 -6.362 1.00 0.00 C ATOM 2048 O ALA C 608 4.057 17.688 -5.627 1.00 0.00 O ATOM 2049 CB ALA C 608 2.245 15.103 -5.174 1.00 0.00 C ATOM 0 H ALA C 608 0.546 15.394 -6.942 1.00 0.00 H new ATOM 0 HA ALA C 608 1.612 17.156 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.982 15.221 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA C 608 1.307 14.744 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.612 14.382 -5.905 1.00 0.00 H new ATOM 2055 N MET C 609 3.650 16.734 -7.619 1.00 0.00 N ATOM 2056 CA MET C 609 4.891 17.231 -8.211 1.00 0.00 C ATOM 2057 C MET C 609 4.856 18.753 -8.315 1.00 0.00 C ATOM 2058 O MET C 609 5.886 19.414 -8.177 1.00 0.00 O ATOM 2059 CB MET C 609 5.136 16.613 -9.594 1.00 0.00 C ATOM 2060 CG MET C 609 5.813 15.246 -9.556 1.00 0.00 C ATOM 2061 SD MET C 609 4.639 13.888 -9.418 1.00 0.00 S ATOM 2062 CE MET C 609 4.640 13.605 -7.650 1.00 0.00 C ATOM 0 H MET C 609 3.071 16.175 -8.246 1.00 0.00 H new ATOM 0 HA MET C 609 5.713 16.937 -7.559 1.00 0.00 H new ATOM 0 HB2 MET C 609 4.182 16.519 -10.112 1.00 0.00 H new ATOM 0 HB3 MET C 609 5.752 17.295 -10.181 1.00 0.00 H new ATOM 0 HG2 MET C 609 6.408 15.115 -10.460 1.00 0.00 H new ATOM 0 HG3 MET C 609 6.503 15.211 -8.713 1.00 0.00 H new ATOM 0 HE1 MET C 609 3.690 13.162 -7.352 1.00 0.00 H new ATOM 0 HE2 MET C 609 5.454 12.928 -7.390 1.00 0.00 H new ATOM 0 HE3 MET C 609 4.777 14.553 -7.130 1.00 0.00 H new ATOM 2072 N THR C 610 3.669 19.311 -8.531 1.00 0.00 N ATOM 2073 CA THR C 610 3.515 20.757 -8.618 1.00 0.00 C ATOM 2074 C THR C 610 3.826 21.379 -7.261 1.00 0.00 C ATOM 2075 O THR C 610 4.481 22.416 -7.172 1.00 0.00 O ATOM 2076 CB THR C 610 2.089 21.111 -9.054 1.00 0.00 C ATOM 2077 OG1 THR C 610 1.636 20.219 -10.057 1.00 0.00 O ATOM 2078 CG2 THR C 610 1.960 22.516 -9.598 1.00 0.00 C ATOM 0 H THR C 610 2.803 18.785 -8.649 1.00 0.00 H new ATOM 0 HA THR C 610 4.208 21.152 -9.361 1.00 0.00 H new ATOM 0 HB THR C 610 1.483 21.032 -8.151 1.00 0.00 H new ATOM 0 HG1 THR C 610 0.724 20.460 -10.321 1.00 0.00 H new ATOM 0 HG21 THR C 610 0.926 22.700 -9.888 1.00 0.00 H new ATOM 0 HG22 THR C 610 2.255 23.232 -8.831 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.606 22.630 -10.468 1.00 0.00 H new ATOM 2086 N GLU C 611 3.367 20.716 -6.211 1.00 0.00 N ATOM 2087 CA GLU C 611 3.605 21.179 -4.849 1.00 0.00 C ATOM 2088 C GLU C 611 5.105 21.192 -4.547 1.00 0.00 C ATOM 2089 O GLU C 611 5.578 21.953 -3.702 1.00 0.00 O ATOM 2090 CB GLU C 611 2.866 20.282 -3.857 1.00 0.00 C ATOM 2091 CG GLU C 611 2.780 20.861 -2.455 1.00 0.00 C ATOM 2092 CD GLU C 611 1.990 22.155 -2.405 1.00 0.00 C ATOM 2093 OE1 GLU C 611 1.251 22.437 -3.373 1.00 0.00 O ATOM 2094 OE2 GLU C 611 2.111 22.885 -1.399 1.00 0.00 O ATOM 0 H GLU C 611 2.826 19.853 -6.274 1.00 0.00 H new ATOM 0 HA GLU C 611 3.226 22.196 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU C 611 1.857 20.100 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU C 611 3.368 19.316 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU C 611 2.316 20.131 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU C 611 3.787 21.040 -2.077 1.00 0.00 H new ATOM 2101 N LEU C 612 5.841 20.337 -5.257 1.00 0.00 N ATOM 2102 CA LEU C 612 7.289 20.228 -5.090 1.00 0.00 C ATOM 2103 C LEU C 612 8.016 21.202 -6.015 1.00 0.00 C ATOM 2104 O LEU C 612 9.137 21.622 -5.730 1.00 0.00 O ATOM 2105 CB LEU C 612 7.758 18.789 -5.367 1.00 0.00 C ATOM 2106 CG LEU C 612 8.618 18.147 -4.257 1.00 0.00 C ATOM 2107 CD1 LEU C 612 7.778 17.226 -3.380 1.00 0.00 C ATOM 2108 CD2 LEU C 612 9.805 17.388 -4.853 1.00 0.00 C ATOM 0 H LEU C 612 5.454 19.706 -5.958 1.00 0.00 H new ATOM 0 HA LEU C 612 7.530 20.484 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU C 612 6.880 18.164 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.330 18.784 -6.295 1.00 0.00 H new ATOM 0 HG LEU C 612 9.008 18.950 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU C 612 8.407 16.787 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU C 612 6.976 17.799 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU C 612 7.348 16.433 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU C 612 10.394 16.946 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU C 612 9.439 16.600 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU C 612 10.428 18.077 -5.423 1.00 0.00 H new ATOM 2120 N GLN C 613 7.371 21.554 -7.126 1.00 0.00 N ATOM 2121 CA GLN C 613 7.959 22.475 -8.096 1.00 0.00 C ATOM 2122 C GLN C 613 7.781 23.934 -7.666 1.00 0.00 C ATOM 2123 O GLN C 613 8.006 24.851 -8.454 1.00 0.00 O ATOM 2124 CB GLN C 613 7.334 22.254 -9.478 1.00 0.00 C ATOM 2125 CG GLN C 613 8.187 22.773 -10.627 1.00 0.00 C ATOM 2126 CD GLN C 613 7.697 22.293 -11.980 1.00 0.00 C ATOM 2127 OE1 GLN C 613 7.269 23.088 -12.816 1.00 0.00 O ATOM 2128 NE2 GLN C 613 7.758 20.985 -12.201 1.00 0.00 N ATOM 0 H GLN C 613 6.442 21.215 -7.376 1.00 0.00 H new ATOM 0 HA GLN C 613 9.028 22.269 -8.146 1.00 0.00 H new ATOM 0 HB2 GLN C 613 7.158 21.188 -9.621 1.00 0.00 H new ATOM 0 HB3 GLN C 613 6.361 22.745 -9.509 1.00 0.00 H new ATOM 0 HG2 GLN C 613 8.188 23.863 -10.611 1.00 0.00 H new ATOM 0 HG3 GLN C 613 9.218 22.451 -10.483 1.00 0.00 H new ATOM 0 HE21 GLN C 613 8.120 20.362 -11.479 1.00 0.00 H new ATOM 0 HE22 GLN C 613 7.443 20.603 -13.093 1.00 0.00 H new