USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=13 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 Set 1.1: B 10 THR OG1 : rot 174:sc= 0.422 USER MOD Set 1.2: C 605 LYS NZ :NH3+ -168:sc= 0.117 (180deg=-0.899) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0598 USER MOD Single : A 14 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.022) USER MOD Single : A 16 TYR OH : rot 146:sc= 0.252 USER MOD Single : A 17 THR OG1 : rot 92:sc= 1.07 USER MOD Single : A 23 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.085) USER MOD Single : A 24 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.7!) USER MOD Single : A 35 TYR OH : rot 165:sc= -0.394 USER MOD Single : A 37 THR OG1 : rot 49:sc= -4.09! USER MOD Single : B 14 GLN : amide:sc= -6.68! C(o=-6.7!,f=-6.3!) USER MOD Single : B 16 TYR OH : rot 112:sc= 1.18 USER MOD Single : B 17 THR OG1 : rot 90:sc= 1.12 USER MOD Single : B 23 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.0087) USER MOD Single : B 24 GLN : amide:sc= 0.381 K(o=0.38,f=-0.78) USER MOD Single : B 35 TYR OH : rot -144:sc= 0.658 USER MOD Single : B 37 THR OG1 : rot -97:sc= -0.282 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=-0.00962 X(o=-0.0096,f=0) USER MOD Single : C 607 GLN :FLIP amide:sc= -0.781 F(o=-1.9,f=-0.78) USER MOD Single : C 609 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 610 THR OG1 : rot 180:sc= 0 USER MOD Single : C 613 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -18.110 7.024 -8.929 1.00 0.00 N ATOM 121 CA GLN A 4 -17.917 8.472 -8.910 1.00 0.00 C ATOM 122 C GLN A 4 -16.750 8.860 -8.003 1.00 0.00 C ATOM 123 O GLN A 4 -16.852 8.749 -6.783 1.00 0.00 O ATOM 124 CB GLN A 4 -19.209 9.174 -8.450 1.00 0.00 C ATOM 125 CG GLN A 4 -19.812 10.099 -9.498 1.00 0.00 C ATOM 126 CD GLN A 4 -20.503 9.347 -10.619 1.00 0.00 C ATOM 127 OE1 GLN A 4 -19.924 9.125 -11.682 1.00 0.00 O ATOM 128 NE2 GLN A 4 -21.749 8.952 -10.385 1.00 0.00 N ATOM 0 HA GLN A 4 -17.678 8.796 -9.923 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -19.946 8.418 -8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -18.998 9.750 -7.549 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -20.529 10.766 -9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -19.026 10.726 -9.918 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -22.190 9.158 -9.488 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.266 8.442 -11.102 1.00 0.00 H new ATOM 137 N ILE A 5 -15.654 9.334 -8.593 1.00 0.00 N ATOM 138 CA ILE A 5 -14.494 9.751 -7.805 1.00 0.00 C ATOM 139 C ILE A 5 -14.929 10.749 -6.722 1.00 0.00 C ATOM 140 O ILE A 5 -15.238 11.899 -7.030 1.00 0.00 O ATOM 141 CB ILE A 5 -13.407 10.400 -8.696 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.925 9.412 -9.770 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.233 10.878 -7.848 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.493 8.068 -9.219 1.00 0.00 C ATOM 0 H ILE A 5 -15.544 9.438 -9.602 1.00 0.00 H new ATOM 0 HA ILE A 5 -14.069 8.861 -7.341 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.847 11.263 -9.195 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.726 9.257 -10.493 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.090 9.857 -10.311 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.480 11.331 -8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.583 11.615 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.797 10.030 -7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.167 7.427 -10.038 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.670 8.209 -8.519 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.331 7.600 -8.703 1.00 0.00 H new ATOM 156 N PRO A 6 -14.982 10.329 -5.436 1.00 0.00 N ATOM 157 CA PRO A 6 -15.410 11.214 -4.342 1.00 0.00 C ATOM 158 C PRO A 6 -14.484 12.422 -4.164 1.00 0.00 C ATOM 159 O PRO A 6 -13.264 12.279 -4.229 1.00 0.00 O ATOM 160 CB PRO A 6 -15.356 10.313 -3.095 1.00 0.00 C ATOM 161 CG PRO A 6 -15.366 8.920 -3.621 1.00 0.00 C ATOM 162 CD PRO A 6 -14.655 8.978 -4.941 1.00 0.00 C ATOM 0 HA PRO A 6 -16.396 11.637 -4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.458 10.506 -2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -16.209 10.493 -2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.862 8.239 -2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.386 8.555 -3.742 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.580 8.840 -4.827 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.005 8.203 -5.622 1.00 0.00 H new ATOM 170 N PRO A 7 -15.037 13.633 -3.925 1.00 0.00 N ATOM 171 CA PRO A 7 -14.217 14.835 -3.730 1.00 0.00 C ATOM 172 C PRO A 7 -13.306 14.716 -2.509 1.00 0.00 C ATOM 173 O PRO A 7 -13.554 13.901 -1.619 1.00 0.00 O ATOM 174 CB PRO A 7 -15.248 15.959 -3.519 1.00 0.00 C ATOM 175 CG PRO A 7 -16.532 15.416 -4.045 1.00 0.00 C ATOM 176 CD PRO A 7 -16.477 13.932 -3.819 1.00 0.00 C ATOM 0 HA PRO A 7 -13.552 15.010 -4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.334 16.221 -2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.957 16.865 -4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.384 15.858 -3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.648 15.645 -5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.875 13.658 -2.842 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -17.058 13.389 -4.564 1.00 0.00 H new ATOM 184 N GLY A 8 -12.266 15.542 -2.458 1.00 0.00 N ATOM 185 CA GLY A 8 -11.352 15.522 -1.325 1.00 0.00 C ATOM 186 C GLY A 8 -10.317 14.410 -1.384 1.00 0.00 C ATOM 187 O GLY A 8 -9.257 14.520 -0.768 1.00 0.00 O ATOM 0 H GLY A 8 -12.038 16.226 -3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.837 16.481 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.930 15.418 -0.407 1.00 0.00 H new ATOM 191 N LEU A 9 -10.612 13.332 -2.110 1.00 0.00 N ATOM 192 CA LEU A 9 -9.680 12.208 -2.214 1.00 0.00 C ATOM 193 C LEU A 9 -8.285 12.691 -2.601 1.00 0.00 C ATOM 194 O LEU A 9 -7.300 12.377 -1.933 1.00 0.00 O ATOM 195 CB LEU A 9 -10.181 11.170 -3.237 1.00 0.00 C ATOM 196 CG LEU A 9 -10.307 9.735 -2.699 1.00 0.00 C ATOM 197 CD1 LEU A 9 -11.631 9.545 -1.972 1.00 0.00 C ATOM 198 CD2 LEU A 9 -10.167 8.720 -3.829 1.00 0.00 C ATOM 0 H LEU A 9 -11.481 13.213 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.625 11.733 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.155 11.489 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.501 11.164 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.499 9.569 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.698 8.523 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.689 10.240 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.455 9.736 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.259 7.712 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.950 8.888 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.191 8.834 -4.302 1.00 0.00 H new ATOM 210 N THR A 10 -8.213 13.450 -3.687 1.00 0.00 N ATOM 211 CA THR A 10 -6.943 13.974 -4.173 1.00 0.00 C ATOM 212 C THR A 10 -6.170 14.680 -3.060 1.00 0.00 C ATOM 213 O THR A 10 -4.972 14.473 -2.896 1.00 0.00 O ATOM 214 CB THR A 10 -7.181 14.938 -5.346 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.452 15.551 -5.237 1.00 0.00 O ATOM 216 CG2 THR A 10 -7.112 14.271 -6.707 1.00 0.00 C ATOM 0 H THR A 10 -9.021 13.717 -4.249 1.00 0.00 H new ATOM 0 HA THR A 10 -6.343 13.132 -4.518 1.00 0.00 H new ATOM 0 HB THR A 10 -6.376 15.670 -5.280 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.586 16.163 -5.991 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.290 15.013 -7.485 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.125 13.829 -6.846 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.871 13.491 -6.769 1.00 0.00 H new ATOM 224 N GLU A 11 -6.874 15.506 -2.294 1.00 0.00 N ATOM 225 CA GLU A 11 -6.261 16.241 -1.194 1.00 0.00 C ATOM 226 C GLU A 11 -5.624 15.291 -0.182 1.00 0.00 C ATOM 227 O GLU A 11 -4.559 15.579 0.363 1.00 0.00 O ATOM 228 CB GLU A 11 -7.303 17.124 -0.502 1.00 0.00 C ATOM 229 CG GLU A 11 -6.695 18.197 0.388 1.00 0.00 C ATOM 230 CD GLU A 11 -6.069 17.626 1.646 1.00 0.00 C ATOM 231 OE1 GLU A 11 -6.825 17.177 2.534 1.00 0.00 O ATOM 232 OE2 GLU A 11 -4.824 17.629 1.743 1.00 0.00 O ATOM 0 H GLU A 11 -7.871 15.683 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.475 16.873 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.924 17.601 -1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.960 16.495 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.938 18.744 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.467 18.915 0.665 1.00 0.00 H new ATOM 239 N LEU A 12 -6.282 14.162 0.070 1.00 0.00 N ATOM 240 CA LEU A 12 -5.775 13.179 1.023 1.00 0.00 C ATOM 241 C LEU A 12 -4.550 12.456 0.473 1.00 0.00 C ATOM 242 O LEU A 12 -3.570 12.238 1.186 1.00 0.00 O ATOM 243 CB LEU A 12 -6.865 12.156 1.371 1.00 0.00 C ATOM 244 CG LEU A 12 -7.737 12.507 2.583 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.924 12.471 3.874 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.392 13.869 2.394 1.00 0.00 C ATOM 0 H LEU A 12 -7.165 13.906 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.483 13.715 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.513 12.032 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.389 11.193 1.554 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.523 11.756 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.568 12.724 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.514 11.471 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.109 13.192 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.007 14.101 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.621 14.631 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.018 13.851 1.502 1.00 0.00 H new ATOM 258 N LEU A 13 -4.621 12.073 -0.799 1.00 0.00 N ATOM 259 CA LEU A 13 -3.529 11.358 -1.445 1.00 0.00 C ATOM 260 C LEU A 13 -2.371 12.300 -1.776 1.00 0.00 C ATOM 261 O LEU A 13 -1.209 11.893 -1.768 1.00 0.00 O ATOM 262 CB LEU A 13 -4.035 10.663 -2.718 1.00 0.00 C ATOM 263 CG LEU A 13 -5.149 9.627 -2.505 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.966 9.443 -3.781 1.00 0.00 C ATOM 265 CD2 LEU A 13 -4.570 8.293 -2.051 1.00 0.00 C ATOM 0 H LEU A 13 -5.425 12.247 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.158 10.603 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.398 11.425 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.192 10.170 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.809 10.000 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.749 8.705 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.419 10.393 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.314 9.099 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.378 7.576 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.883 7.918 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.034 8.430 -1.112 1.00 0.00 H new ATOM 277 N GLN A 14 -2.694 13.559 -2.072 1.00 0.00 N ATOM 278 CA GLN A 14 -1.676 14.550 -2.412 1.00 0.00 C ATOM 279 C GLN A 14 -0.757 14.825 -1.228 1.00 0.00 C ATOM 280 O GLN A 14 0.459 14.912 -1.390 1.00 0.00 O ATOM 281 CB GLN A 14 -2.322 15.861 -2.874 1.00 0.00 C ATOM 282 CG GLN A 14 -1.367 16.774 -3.629 1.00 0.00 C ATOM 283 CD GLN A 14 -1.773 18.237 -3.561 1.00 0.00 C ATOM 284 OE1 GLN A 14 -1.839 18.823 -2.481 1.00 0.00 O ATOM 285 NE2 GLN A 14 -2.047 18.834 -4.715 1.00 0.00 N ATOM 0 H GLN A 14 -3.650 13.915 -2.083 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.082 14.138 -3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.175 15.631 -3.513 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.709 16.392 -2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.363 16.661 -3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.322 16.462 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.980 18.311 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.325 19.815 -4.728 1.00 0.00 H new ATOM 294 N GLY A 15 -1.339 14.954 -0.041 1.00 0.00 N ATOM 295 CA GLY A 15 -0.544 15.211 1.147 1.00 0.00 C ATOM 296 C GLY A 15 0.541 14.171 1.334 1.00 0.00 C ATOM 297 O GLY A 15 1.674 14.497 1.685 1.00 0.00 O ATOM 0 H GLY A 15 -2.344 14.886 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.091 16.200 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.192 15.221 2.023 1.00 0.00 H new ATOM 301 N TYR A 16 0.188 12.914 1.093 1.00 0.00 N ATOM 302 CA TYR A 16 1.142 11.821 1.229 1.00 0.00 C ATOM 303 C TYR A 16 2.190 11.864 0.119 1.00 0.00 C ATOM 304 O TYR A 16 3.387 11.746 0.376 1.00 0.00 O ATOM 305 CB TYR A 16 0.414 10.475 1.195 1.00 0.00 C ATOM 306 CG TYR A 16 1.324 9.286 1.435 1.00 0.00 C ATOM 307 CD1 TYR A 16 2.023 9.160 2.628 1.00 0.00 C ATOM 308 CD2 TYR A 16 1.482 8.291 0.475 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.851 8.079 2.860 1.00 0.00 C ATOM 310 CE2 TYR A 16 2.308 7.205 0.702 1.00 0.00 C ATOM 311 CZ TYR A 16 2.989 7.105 1.895 1.00 0.00 C ATOM 312 OH TYR A 16 3.813 6.027 2.123 1.00 0.00 O ATOM 0 H TYR A 16 -0.747 12.627 0.804 1.00 0.00 H new ATOM 0 HA TYR A 16 1.647 11.936 2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.373 10.478 1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.073 10.359 0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.918 9.920 3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.951 8.368 -0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.388 7.998 3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.418 6.440 -0.052 1.00 0.00 H new ATOM 0 HH TYR A 16 3.438 5.231 1.691 1.00 0.00 H new ATOM 322 N THR A 17 1.722 12.010 -1.118 1.00 0.00 N ATOM 323 CA THR A 17 2.601 12.038 -2.287 1.00 0.00 C ATOM 324 C THR A 17 3.688 13.113 -2.189 1.00 0.00 C ATOM 325 O THR A 17 4.878 12.803 -2.234 1.00 0.00 O ATOM 326 CB THR A 17 1.776 12.242 -3.563 1.00 0.00 C ATOM 327 OG1 THR A 17 0.545 11.545 -3.475 1.00 0.00 O ATOM 328 CG2 THR A 17 2.482 11.772 -4.826 1.00 0.00 C ATOM 0 H THR A 17 0.731 12.112 -1.339 1.00 0.00 H new ATOM 0 HA THR A 17 3.109 11.074 -2.323 1.00 0.00 H new ATOM 0 HB THR A 17 1.622 13.319 -3.637 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.141 12.138 -3.104 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.839 11.947 -5.689 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.414 12.324 -4.949 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.700 10.707 -4.746 1.00 0.00 H new ATOM 336 N VAL A 18 3.276 14.378 -2.072 1.00 0.00 N ATOM 337 CA VAL A 18 4.228 15.488 -1.989 1.00 0.00 C ATOM 338 C VAL A 18 5.317 15.220 -0.955 1.00 0.00 C ATOM 339 O VAL A 18 6.421 15.749 -1.059 1.00 0.00 O ATOM 340 CB VAL A 18 3.538 16.821 -1.624 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.610 17.269 -2.741 1.00 0.00 C ATOM 342 CG2 VAL A 18 2.791 16.701 -0.298 1.00 0.00 C ATOM 0 H VAL A 18 2.296 14.658 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 18 4.671 15.570 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 18 4.308 17.583 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.134 18.210 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.184 17.409 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.845 16.510 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.313 17.652 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.031 15.923 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.494 16.442 0.494 1.00 0.00 H new ATOM 352 N GLU A 19 5.003 14.412 0.049 1.00 0.00 N ATOM 353 CA GLU A 19 5.968 14.105 1.099 1.00 0.00 C ATOM 354 C GLU A 19 6.979 13.051 0.646 1.00 0.00 C ATOM 355 O GLU A 19 8.177 13.196 0.882 1.00 0.00 O ATOM 356 CB GLU A 19 5.247 13.648 2.376 1.00 0.00 C ATOM 357 CG GLU A 19 5.982 14.026 3.655 1.00 0.00 C ATOM 358 CD GLU A 19 5.143 13.818 4.901 1.00 0.00 C ATOM 359 OE1 GLU A 19 4.301 14.689 5.200 1.00 0.00 O ATOM 360 OE2 GLU A 19 5.333 12.787 5.579 1.00 0.00 O ATOM 0 H GLU A 19 4.095 13.960 0.159 1.00 0.00 H new ATOM 0 HA GLU A 19 6.521 15.019 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.249 14.085 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.120 12.566 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.893 13.433 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.286 15.071 3.598 1.00 0.00 H new ATOM 367 N VAL A 20 6.499 11.989 0.003 1.00 0.00 N ATOM 368 CA VAL A 20 7.385 10.922 -0.462 1.00 0.00 C ATOM 369 C VAL A 20 8.462 11.460 -1.402 1.00 0.00 C ATOM 370 O VAL A 20 9.610 11.023 -1.359 1.00 0.00 O ATOM 371 CB VAL A 20 6.617 9.794 -1.192 1.00 0.00 C ATOM 372 CG1 VAL A 20 7.497 8.555 -1.329 1.00 0.00 C ATOM 373 CG2 VAL A 20 5.315 9.456 -0.470 1.00 0.00 C ATOM 0 H VAL A 20 5.511 11.844 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 20 7.848 10.511 0.435 1.00 0.00 H new ATOM 0 HB VAL A 20 6.360 10.149 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.943 7.770 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.390 8.805 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.787 8.204 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.798 8.660 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.537 9.125 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.680 10.341 -0.432 1.00 0.00 H new ATOM 383 N LEU A 21 8.077 12.401 -2.254 1.00 0.00 N ATOM 384 CA LEU A 21 9.002 12.994 -3.214 1.00 0.00 C ATOM 385 C LEU A 21 9.966 13.961 -2.530 1.00 0.00 C ATOM 386 O LEU A 21 11.128 14.068 -2.920 1.00 0.00 O ATOM 387 CB LEU A 21 8.212 13.715 -4.307 1.00 0.00 C ATOM 388 CG LEU A 21 7.115 12.873 -4.967 1.00 0.00 C ATOM 389 CD1 LEU A 21 6.475 13.637 -6.117 1.00 0.00 C ATOM 390 CD2 LEU A 21 7.679 11.543 -5.451 1.00 0.00 C ATOM 0 H LEU A 21 7.128 12.772 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 21 9.595 12.196 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.757 14.608 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.907 14.050 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 21 6.345 12.666 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.698 13.024 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.034 14.560 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.234 13.876 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.885 10.959 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.469 11.726 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.086 10.991 -4.604 1.00 0.00 H new ATOM 402 N ARG A 22 9.478 14.674 -1.520 1.00 0.00 N ATOM 403 CA ARG A 22 10.302 15.642 -0.798 1.00 0.00 C ATOM 404 C ARG A 22 11.116 14.990 0.323 1.00 0.00 C ATOM 405 O ARG A 22 12.136 15.535 0.746 1.00 0.00 O ATOM 406 CB ARG A 22 9.426 16.753 -0.223 1.00 0.00 C ATOM 407 CG ARG A 22 8.778 17.626 -1.287 1.00 0.00 C ATOM 408 CD ARG A 22 7.832 18.643 -0.673 1.00 0.00 C ATOM 409 NE ARG A 22 6.836 18.012 0.190 1.00 0.00 N ATOM 410 CZ ARG A 22 6.138 18.661 1.121 1.00 0.00 C ATOM 411 NH1 ARG A 22 6.278 19.973 1.277 1.00 0.00 N ATOM 412 NH2 ARG A 22 5.289 17.998 1.894 1.00 0.00 N ATOM 0 H ARG A 22 8.518 14.601 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 22 11.008 16.062 -1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.646 16.307 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.031 17.380 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.551 18.143 -1.855 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.232 16.998 -1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.405 19.369 -0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.327 19.194 -1.466 1.00 0.00 H new ATOM 0 HE ARG A 22 6.665 17.013 0.072 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.924 20.491 0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.740 20.462 1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.171 16.992 1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.754 18.494 2.607 1.00 0.00 H new ATOM 426 N GLN A 23 10.662 13.832 0.813 1.00 0.00 N ATOM 427 CA GLN A 23 11.358 13.132 1.899 1.00 0.00 C ATOM 428 C GLN A 23 12.095 11.899 1.387 1.00 0.00 C ATOM 429 O GLN A 23 13.224 11.627 1.797 1.00 0.00 O ATOM 430 CB GLN A 23 10.365 12.725 2.992 1.00 0.00 C ATOM 431 CG GLN A 23 9.810 13.901 3.779 1.00 0.00 C ATOM 432 CD GLN A 23 10.879 14.628 4.573 1.00 0.00 C ATOM 433 OE1 GLN A 23 11.256 14.200 5.664 1.00 0.00 O ATOM 434 NE2 GLN A 23 11.372 15.735 4.030 1.00 0.00 N ATOM 0 H GLN A 23 9.821 13.362 0.478 1.00 0.00 H new ATOM 0 HA GLN A 23 12.094 13.820 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.538 12.181 2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.857 12.038 3.680 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.334 14.601 3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.036 13.545 4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.031 16.054 3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.092 16.266 4.520 1.00 0.00 H new ATOM 443 N GLN A 24 11.449 11.151 0.499 1.00 0.00 N ATOM 444 CA GLN A 24 12.042 9.942 -0.061 1.00 0.00 C ATOM 445 C GLN A 24 12.361 8.929 1.044 1.00 0.00 C ATOM 446 O GLN A 24 13.512 8.800 1.461 1.00 0.00 O ATOM 447 CB GLN A 24 13.317 10.280 -0.840 1.00 0.00 C ATOM 448 CG GLN A 24 13.101 11.288 -1.959 1.00 0.00 C ATOM 449 CD GLN A 24 12.477 10.668 -3.194 1.00 0.00 C ATOM 450 OE1 GLN A 24 12.493 9.449 -3.367 1.00 0.00 O ATOM 451 NE2 GLN A 24 11.921 11.507 -4.060 1.00 0.00 N ATOM 0 H GLN A 24 10.513 11.361 0.151 1.00 0.00 H new ATOM 0 HA GLN A 24 11.317 9.498 -0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 24 14.062 10.673 -0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.727 9.363 -1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.460 12.093 -1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.057 11.737 -2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.931 12.510 -3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.484 11.148 -4.909 1.00 0.00 H new ATOM 460 N PRO A 25 11.342 8.198 1.537 1.00 0.00 N ATOM 461 CA PRO A 25 11.522 7.205 2.597 1.00 0.00 C ATOM 462 C PRO A 25 12.019 5.864 2.060 1.00 0.00 C ATOM 463 O PRO A 25 12.051 5.651 0.848 1.00 0.00 O ATOM 464 CB PRO A 25 10.112 7.072 3.168 1.00 0.00 C ATOM 465 CG PRO A 25 9.225 7.284 1.989 1.00 0.00 C ATOM 466 CD PRO A 25 9.932 8.286 1.107 1.00 0.00 C ATOM 0 HA PRO A 25 12.273 7.503 3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.953 6.091 3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.925 7.812 3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.054 6.348 1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.249 7.657 2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.819 8.040 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.534 9.291 1.244 1.00 0.00 H new ATOM 474 N PRO A 26 12.415 4.935 2.952 1.00 0.00 N ATOM 475 CA PRO A 26 12.906 3.618 2.547 1.00 0.00 C ATOM 476 C PRO A 26 11.783 2.709 2.053 1.00 0.00 C ATOM 477 O PRO A 26 11.989 1.878 1.168 1.00 0.00 O ATOM 478 CB PRO A 26 13.541 3.044 3.833 1.00 0.00 C ATOM 479 CG PRO A 26 13.538 4.165 4.824 1.00 0.00 C ATOM 480 CD PRO A 26 12.420 5.079 4.415 1.00 0.00 C ATOM 0 HA PRO A 26 13.606 3.688 1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.971 2.192 4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.555 2.691 3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.385 3.790 5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.493 4.691 4.820 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.469 4.780 4.856 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.604 6.109 4.721 1.00 0.00 H new ATOM 488 N ASP A 27 10.594 2.868 2.637 1.00 0.00 N ATOM 489 CA ASP A 27 9.436 2.060 2.265 1.00 0.00 C ATOM 490 C ASP A 27 8.205 2.928 2.056 1.00 0.00 C ATOM 491 O ASP A 27 8.079 4.006 2.634 1.00 0.00 O ATOM 492 CB ASP A 27 9.159 1.008 3.341 1.00 0.00 C ATOM 493 CG ASP A 27 10.264 -0.026 3.435 1.00 0.00 C ATOM 494 OD1 ASP A 27 10.246 -0.988 2.638 1.00 0.00 O ATOM 495 OD2 ASP A 27 11.147 0.125 4.305 1.00 0.00 O ATOM 0 H ASP A 27 10.410 3.552 3.371 1.00 0.00 H new ATOM 0 HA ASP A 27 9.663 1.559 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.043 1.501 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.215 0.509 3.123 1.00 0.00 H new ATOM 500 N LEU A 28 7.301 2.437 1.222 1.00 0.00 N ATOM 501 CA LEU A 28 6.061 3.141 0.916 1.00 0.00 C ATOM 502 C LEU A 28 4.933 2.674 1.830 1.00 0.00 C ATOM 503 O LEU A 28 4.145 3.479 2.325 1.00 0.00 O ATOM 504 CB LEU A 28 5.670 2.909 -0.545 1.00 0.00 C ATOM 505 CG LEU A 28 6.670 3.436 -1.581 1.00 0.00 C ATOM 506 CD1 LEU A 28 6.418 2.801 -2.941 1.00 0.00 C ATOM 507 CD2 LEU A 28 6.591 4.954 -1.677 1.00 0.00 C ATOM 0 H LEU A 28 7.403 1.544 0.740 1.00 0.00 H new ATOM 0 HA LEU A 28 6.225 4.206 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.538 1.839 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.703 3.380 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 28 7.674 3.164 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.138 3.188 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.528 1.719 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.408 3.040 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.308 5.310 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.585 5.248 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.824 5.393 -0.707 1.00 0.00 H new ATOM 519 N VAL A 29 4.860 1.363 2.043 1.00 0.00 N ATOM 520 CA VAL A 29 3.825 0.780 2.889 1.00 0.00 C ATOM 521 C VAL A 29 3.965 1.235 4.339 1.00 0.00 C ATOM 522 O VAL A 29 2.977 1.592 4.982 1.00 0.00 O ATOM 523 CB VAL A 29 3.848 -0.762 2.829 1.00 0.00 C ATOM 524 CG1 VAL A 29 5.142 -1.319 3.408 1.00 0.00 C ATOM 525 CG2 VAL A 29 2.640 -1.339 3.552 1.00 0.00 C ATOM 0 H VAL A 29 5.506 0.684 1.641 1.00 0.00 H new ATOM 0 HA VAL A 29 2.869 1.133 2.501 1.00 0.00 H new ATOM 0 HB VAL A 29 3.800 -1.060 1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.127 -2.407 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.989 -0.937 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.237 -1.011 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.671 -2.427 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.656 -1.024 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.727 -0.979 3.079 1.00 0.00 H new ATOM 535 N GLU A 30 5.191 1.225 4.850 1.00 0.00 N ATOM 536 CA GLU A 30 5.446 1.641 6.226 1.00 0.00 C ATOM 537 C GLU A 30 5.229 3.141 6.376 1.00 0.00 C ATOM 538 O GLU A 30 4.511 3.591 7.269 1.00 0.00 O ATOM 539 CB GLU A 30 6.873 1.275 6.637 1.00 0.00 C ATOM 540 CG GLU A 30 7.209 -0.193 6.431 1.00 0.00 C ATOM 541 CD GLU A 30 8.539 -0.579 7.047 1.00 0.00 C ATOM 542 OE1 GLU A 30 9.583 -0.104 6.552 1.00 0.00 O ATOM 543 OE2 GLU A 30 8.537 -1.355 8.027 1.00 0.00 O ATOM 0 H GLU A 30 6.022 0.935 4.335 1.00 0.00 H new ATOM 0 HA GLU A 30 4.747 1.118 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.574 1.883 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.015 1.528 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.420 -0.807 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.231 -0.410 5.363 1.00 0.00 H new ATOM 550 N PHE A 31 5.855 3.907 5.491 1.00 0.00 N ATOM 551 CA PHE A 31 5.739 5.359 5.508 1.00 0.00 C ATOM 552 C PHE A 31 4.283 5.805 5.427 1.00 0.00 C ATOM 553 O PHE A 31 3.934 6.896 5.878 1.00 0.00 O ATOM 554 CB PHE A 31 6.541 5.954 4.353 1.00 0.00 C ATOM 555 CG PHE A 31 6.640 7.450 4.404 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.395 8.069 5.387 1.00 0.00 C ATOM 557 CD2 PHE A 31 5.982 8.233 3.473 1.00 0.00 C ATOM 558 CE1 PHE A 31 7.489 9.446 5.440 1.00 0.00 C ATOM 559 CE2 PHE A 31 6.072 9.611 3.521 1.00 0.00 C ATOM 560 CZ PHE A 31 6.828 10.218 4.507 1.00 0.00 C ATOM 0 H PHE A 31 6.452 3.543 4.748 1.00 0.00 H new ATOM 0 HA PHE A 31 6.142 5.721 6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.545 5.530 4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.079 5.660 3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.915 7.469 6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.392 7.763 2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.080 9.918 6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.553 10.213 2.790 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.901 11.295 4.547 1.00 0.00 H new ATOM 570 N ALA A 32 3.433 4.959 4.854 1.00 0.00 N ATOM 571 CA ALA A 32 2.016 5.276 4.723 1.00 0.00 C ATOM 572 C ALA A 32 1.322 5.261 6.079 1.00 0.00 C ATOM 573 O ALA A 32 0.553 6.167 6.401 1.00 0.00 O ATOM 574 CB ALA A 32 1.354 4.314 3.757 1.00 0.00 C ATOM 0 H ALA A 32 3.700 4.051 4.474 1.00 0.00 H new ATOM 0 HA ALA A 32 1.923 6.285 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.296 4.560 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.830 4.395 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.459 3.295 4.129 1.00 0.00 H new ATOM 580 N VAL A 33 1.622 4.249 6.885 1.00 0.00 N ATOM 581 CA VAL A 33 1.049 4.149 8.222 1.00 0.00 C ATOM 582 C VAL A 33 1.537 5.332 9.051 1.00 0.00 C ATOM 583 O VAL A 33 0.735 6.095 9.585 1.00 0.00 O ATOM 584 CB VAL A 33 1.465 2.816 8.895 1.00 0.00 C ATOM 585 CG1 VAL A 33 1.042 2.753 10.359 1.00 0.00 C ATOM 586 CG2 VAL A 33 0.888 1.641 8.122 1.00 0.00 C ATOM 0 H VAL A 33 2.256 3.489 6.638 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.039 4.166 8.155 1.00 0.00 H new ATOM 0 HB VAL A 33 2.553 2.762 8.875 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.355 1.801 10.788 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.510 3.570 10.908 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.042 2.843 10.429 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.185 0.709 8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.200 1.712 8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.264 1.659 7.099 1.00 0.00 H new ATOM 596 N GLU A 34 2.846 5.484 9.159 1.00 0.00 N ATOM 597 CA GLU A 34 3.422 6.583 9.930 1.00 0.00 C ATOM 598 C GLU A 34 2.767 7.924 9.583 1.00 0.00 C ATOM 599 O GLU A 34 2.609 8.785 10.445 1.00 0.00 O ATOM 600 CB GLU A 34 4.931 6.663 9.684 1.00 0.00 C ATOM 601 CG GLU A 34 5.693 5.440 10.168 1.00 0.00 C ATOM 602 CD GLU A 34 7.196 5.623 10.090 1.00 0.00 C ATOM 603 OE1 GLU A 34 7.756 5.479 8.982 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.815 5.910 11.136 1.00 0.00 O ATOM 0 H GLU A 34 3.531 4.865 8.726 1.00 0.00 H new ATOM 0 HA GLU A 34 3.233 6.381 10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.110 6.793 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.326 7.548 10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.410 5.224 11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.404 4.576 9.570 1.00 0.00 H new ATOM 611 N TYR A 35 2.405 8.100 8.314 1.00 0.00 N ATOM 612 CA TYR A 35 1.786 9.346 7.848 1.00 0.00 C ATOM 613 C TYR A 35 0.299 9.442 8.203 1.00 0.00 C ATOM 614 O TYR A 35 -0.137 10.417 8.812 1.00 0.00 O ATOM 615 CB TYR A 35 1.956 9.475 6.332 1.00 0.00 C ATOM 616 CG TYR A 35 1.340 10.733 5.746 1.00 0.00 C ATOM 617 CD1 TYR A 35 -0.034 10.836 5.561 1.00 0.00 C ATOM 618 CD2 TYR A 35 2.133 11.813 5.371 1.00 0.00 C ATOM 619 CE1 TYR A 35 -0.599 11.977 5.021 1.00 0.00 C ATOM 620 CE2 TYR A 35 1.574 12.957 4.830 1.00 0.00 C ATOM 621 CZ TYR A 35 0.208 13.032 4.659 1.00 0.00 C ATOM 622 OH TYR A 35 -0.351 14.169 4.121 1.00 0.00 O ATOM 0 H TYR A 35 2.529 7.396 7.586 1.00 0.00 H new ATOM 0 HA TYR A 35 2.295 10.162 8.360 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.019 9.458 6.093 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.508 8.605 5.851 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.671 10.011 5.844 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.203 11.757 5.505 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.668 12.040 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.204 13.786 4.543 1.00 0.00 H new ATOM 0 HH TYR A 35 0.305 14.897 4.142 1.00 0.00 H new ATOM 632 N PHE A 36 -0.480 8.446 7.789 1.00 0.00 N ATOM 633 CA PHE A 36 -1.925 8.444 8.033 1.00 0.00 C ATOM 634 C PHE A 36 -2.263 8.106 9.482 1.00 0.00 C ATOM 635 O PHE A 36 -3.204 8.656 10.054 1.00 0.00 O ATOM 636 CB PHE A 36 -2.610 7.443 7.093 1.00 0.00 C ATOM 637 CG PHE A 36 -2.880 7.991 5.716 1.00 0.00 C ATOM 638 CD1 PHE A 36 -1.908 7.939 4.729 1.00 0.00 C ATOM 639 CD2 PHE A 36 -4.109 8.555 5.410 1.00 0.00 C ATOM 640 CE1 PHE A 36 -2.156 8.441 3.466 1.00 0.00 C ATOM 641 CE2 PHE A 36 -4.363 9.058 4.148 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.386 9.001 3.175 1.00 0.00 C ATOM 0 H PHE A 36 -0.138 7.629 7.283 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.292 9.451 7.836 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.984 6.555 7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.553 7.126 7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.946 7.501 4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.878 8.602 6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.389 8.396 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.325 9.495 3.924 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.582 9.393 2.188 1.00 0.00 H new ATOM 652 N THR A 37 -1.512 7.182 10.060 1.00 0.00 N ATOM 653 CA THR A 37 -1.750 6.748 11.433 1.00 0.00 C ATOM 654 C THR A 37 -1.475 7.871 12.432 1.00 0.00 C ATOM 655 O THR A 37 -2.254 8.079 13.363 1.00 0.00 O ATOM 656 CB THR A 37 -0.909 5.507 11.747 1.00 0.00 C ATOM 657 OG1 THR A 37 -0.915 4.614 10.649 1.00 0.00 O ATOM 658 CG2 THR A 37 -1.403 4.722 12.942 1.00 0.00 C ATOM 0 H THR A 37 -0.730 6.715 9.601 1.00 0.00 H new ATOM 0 HA THR A 37 -2.804 6.486 11.530 1.00 0.00 H new ATOM 0 HB THR A 37 0.088 5.892 11.963 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.707 5.105 9.827 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.758 3.858 13.102 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.385 5.357 13.827 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.423 4.384 12.759 1.00 0.00 H new ATOM 666 N ARG A 38 -0.380 8.600 12.236 1.00 0.00 N ATOM 667 CA ARG A 38 -0.038 9.706 13.129 1.00 0.00 C ATOM 668 C ARG A 38 -0.891 10.934 12.821 1.00 0.00 C ATOM 669 O ARG A 38 -1.123 11.774 13.691 1.00 0.00 O ATOM 670 CB ARG A 38 1.447 10.063 13.005 1.00 0.00 C ATOM 671 CG ARG A 38 2.383 8.956 13.468 1.00 0.00 C ATOM 672 CD ARG A 38 3.846 9.328 13.259 1.00 0.00 C ATOM 673 NE ARG A 38 4.725 8.648 14.208 1.00 0.00 N ATOM 674 CZ ARG A 38 4.793 8.946 15.504 1.00 0.00 C ATOM 675 NH1 ARG A 38 4.030 9.905 16.015 1.00 0.00 N ATOM 676 NH2 ARG A 38 5.625 8.282 16.294 1.00 0.00 N ATOM 0 H ARG A 38 0.281 8.448 11.474 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.240 9.385 14.151 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.668 10.303 11.965 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.645 10.962 13.588 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.208 8.750 14.524 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.160 8.039 12.923 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.143 9.072 12.242 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.964 10.406 13.364 1.00 0.00 H new ATOM 0 HE ARG A 38 5.323 7.900 13.856 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.386 10.419 15.414 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.088 10.128 17.009 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.213 7.543 15.909 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.677 8.510 17.287 1.00 0.00 H new ATOM 690 N LEU A 39 -1.361 11.032 11.578 1.00 0.00 N ATOM 691 CA LEU A 39 -2.191 12.154 11.163 1.00 0.00 C ATOM 692 C LEU A 39 -3.456 12.220 12.014 1.00 0.00 C ATOM 693 O LEU A 39 -3.743 13.244 12.635 1.00 0.00 O ATOM 694 CB LEU A 39 -2.538 12.023 9.675 1.00 0.00 C ATOM 695 CG LEU A 39 -3.667 12.927 9.178 1.00 0.00 C ATOM 696 CD1 LEU A 39 -3.405 14.378 9.561 1.00 0.00 C ATOM 697 CD2 LEU A 39 -3.830 12.796 7.670 1.00 0.00 C ATOM 0 H LEU A 39 -1.180 10.347 10.844 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.637 13.082 11.309 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.642 12.236 9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.811 10.987 9.474 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.594 12.609 9.656 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.221 15.003 9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.339 14.462 10.646 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.467 14.709 9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.638 13.446 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.902 13.086 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.067 11.762 7.418 1.00 0.00 H new ATOM 709 N ARG A 40 -4.204 11.118 12.051 1.00 0.00 N ATOM 710 CA ARG A 40 -5.430 11.047 12.840 1.00 0.00 C ATOM 711 C ARG A 40 -5.212 11.616 14.243 1.00 0.00 C ATOM 712 O ARG A 40 -6.094 12.261 14.807 1.00 0.00 O ATOM 713 CB ARG A 40 -5.910 9.594 12.937 1.00 0.00 C ATOM 714 CG ARG A 40 -6.799 9.160 11.773 1.00 0.00 C ATOM 715 CD ARG A 40 -7.765 8.062 12.183 1.00 0.00 C ATOM 716 NE ARG A 40 -8.530 8.426 13.374 1.00 0.00 N ATOM 717 CZ ARG A 40 -9.735 9.001 13.355 1.00 0.00 C ATOM 718 NH1 ARG A 40 -10.322 9.314 12.206 1.00 0.00 N ATOM 719 NH2 ARG A 40 -10.351 9.276 14.497 1.00 0.00 N ATOM 0 H ARG A 40 -3.981 10.262 11.543 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.191 11.646 12.340 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.042 8.937 12.984 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.459 9.464 13.870 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.360 10.019 11.403 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.176 8.808 10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.450 7.855 11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.210 7.143 12.374 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.114 8.227 14.284 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.852 9.116 11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.243 9.753 12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.904 9.048 15.385 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.272 9.715 14.487 1.00 0.00 H new ATOM 963 N PRO B 7 8.959 3.418 -7.580 1.00 0.00 N ATOM 964 CA PRO B 7 8.346 2.221 -8.149 1.00 0.00 C ATOM 965 C PRO B 7 7.492 1.472 -7.129 1.00 0.00 C ATOM 966 O PRO B 7 8.012 0.726 -6.299 1.00 0.00 O ATOM 967 CB PRO B 7 9.555 1.365 -8.589 1.00 0.00 C ATOM 968 CG PRO B 7 10.783 2.101 -8.132 1.00 0.00 C ATOM 969 CD PRO B 7 10.330 3.138 -7.140 1.00 0.00 C ATOM 0 HA PRO B 7 7.666 2.459 -8.967 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.510 0.371 -8.144 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.563 1.230 -9.671 1.00 0.00 H new ATOM 0 HG2 PRO B 7 11.496 1.415 -7.675 1.00 0.00 H new ATOM 0 HG3 PRO B 7 11.288 2.570 -8.976 1.00 0.00 H new ATOM 0 HD2 PRO B 7 10.360 2.762 -6.117 1.00 0.00 H new ATOM 0 HD3 PRO B 7 10.956 4.030 -7.170 1.00 0.00 H new ATOM 977 N GLY B 8 6.176 1.672 -7.201 1.00 0.00 N ATOM 978 CA GLY B 8 5.265 1.003 -6.282 1.00 0.00 C ATOM 979 C GLY B 8 4.217 1.938 -5.705 1.00 0.00 C ATOM 980 O GLY B 8 3.116 1.508 -5.365 1.00 0.00 O ATOM 0 H GLY B 8 5.724 2.285 -7.879 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.768 0.185 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY B 8 5.838 0.561 -5.467 1.00 0.00 H new ATOM 984 N LEU B 9 4.558 3.216 -5.585 1.00 0.00 N ATOM 985 CA LEU B 9 3.640 4.208 -5.033 1.00 0.00 C ATOM 986 C LEU B 9 2.332 4.271 -5.819 1.00 0.00 C ATOM 987 O LEU B 9 1.254 4.286 -5.229 1.00 0.00 O ATOM 988 CB LEU B 9 4.303 5.587 -5.019 1.00 0.00 C ATOM 989 CG LEU B 9 3.547 6.665 -4.221 1.00 0.00 C ATOM 990 CD1 LEU B 9 4.515 7.692 -3.649 1.00 0.00 C ATOM 991 CD2 LEU B 9 2.496 7.350 -5.087 1.00 0.00 C ATOM 0 H LEU B 9 5.465 3.591 -5.863 1.00 0.00 H new ATOM 0 HA LEU B 9 3.403 3.905 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.306 5.487 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.415 5.930 -6.048 1.00 0.00 H new ATOM 0 HG LEU B 9 3.038 6.172 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU B 9 3.959 8.444 -3.089 1.00 0.00 H new ATOM 0 HD12 LEU B 9 5.222 7.195 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU B 9 5.058 8.173 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU B 9 1.977 8.107 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.980 7.823 -5.941 1.00 0.00 H new ATOM 0 HD23 LEU B 9 1.778 6.610 -5.441 1.00 0.00 H new ATOM 1003 N THR B 10 2.418 4.326 -7.142 1.00 0.00 N ATOM 1004 CA THR B 10 1.217 4.411 -7.968 1.00 0.00 C ATOM 1005 C THR B 10 0.235 3.281 -7.663 1.00 0.00 C ATOM 1006 O THR B 10 -0.958 3.518 -7.484 1.00 0.00 O ATOM 1007 CB THR B 10 1.573 4.400 -9.455 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.556 5.379 -9.742 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.380 4.667 -10.355 1.00 0.00 C ATOM 0 H THR B 10 3.295 4.314 -7.663 1.00 0.00 H new ATOM 0 HA THR B 10 0.732 5.357 -7.725 1.00 0.00 H new ATOM 0 HB THR B 10 1.946 3.396 -9.658 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.841 5.292 -10.675 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.699 4.646 -11.397 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.378 3.901 -10.192 1.00 0.00 H new ATOM 0 HG23 THR B 10 -0.039 5.646 -10.123 1.00 0.00 H new ATOM 1017 N GLU B 11 0.738 2.052 -7.613 1.00 0.00 N ATOM 1018 CA GLU B 11 -0.112 0.895 -7.338 1.00 0.00 C ATOM 1019 C GLU B 11 -0.593 0.885 -5.888 1.00 0.00 C ATOM 1020 O GLU B 11 -1.678 0.383 -5.593 1.00 0.00 O ATOM 1021 CB GLU B 11 0.624 -0.410 -7.656 1.00 0.00 C ATOM 1022 CG GLU B 11 1.919 -0.589 -6.886 1.00 0.00 C ATOM 1023 CD GLU B 11 2.491 -1.987 -7.024 1.00 0.00 C ATOM 1024 OE1 GLU B 11 3.245 -2.227 -7.989 1.00 0.00 O ATOM 1025 OE2 GLU B 11 2.184 -2.841 -6.166 1.00 0.00 O ATOM 0 H GLU B 11 1.723 1.830 -7.758 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.986 0.973 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -0.036 -1.250 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU B 11 0.840 -0.443 -8.724 1.00 0.00 H new ATOM 0 HG2 GLU B 11 2.652 0.136 -7.241 1.00 0.00 H new ATOM 0 HG3 GLU B 11 1.743 -0.375 -5.832 1.00 0.00 H new ATOM 1032 N LEU B 12 0.211 1.442 -4.983 1.00 0.00 N ATOM 1033 CA LEU B 12 -0.153 1.490 -3.568 1.00 0.00 C ATOM 1034 C LEU B 12 -1.384 2.374 -3.364 1.00 0.00 C ATOM 1035 O LEU B 12 -2.403 1.917 -2.850 1.00 0.00 O ATOM 1036 CB LEU B 12 1.025 2.002 -2.714 1.00 0.00 C ATOM 1037 CG LEU B 12 1.741 0.938 -1.869 1.00 0.00 C ATOM 1038 CD1 LEU B 12 0.770 0.250 -0.912 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.431 -0.081 -2.769 1.00 0.00 C ATOM 0 H LEU B 12 1.113 1.864 -5.203 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.393 0.477 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.755 2.467 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.656 2.782 -2.048 1.00 0.00 H new ATOM 0 HG LEU B 12 2.501 1.437 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.305 -0.498 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.333 0.991 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -0.022 -0.234 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU B 12 2.934 -0.828 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.689 -0.570 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.164 0.425 -3.397 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.291 3.633 -3.788 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.412 4.561 -3.668 1.00 0.00 C ATOM 1053 C LEU B 13 -3.632 3.982 -4.378 1.00 0.00 C ATOM 1054 O LEU B 13 -4.769 4.163 -3.940 1.00 0.00 O ATOM 1055 CB LEU B 13 -2.043 5.921 -4.280 1.00 0.00 C ATOM 1056 CG LEU B 13 -1.232 6.860 -3.376 1.00 0.00 C ATOM 1057 CD1 LEU B 13 -0.057 6.128 -2.747 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -0.748 8.075 -4.164 1.00 0.00 C ATOM 0 H LEU B 13 -0.455 4.032 -4.215 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.644 4.706 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.475 5.745 -5.193 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.962 6.430 -4.570 1.00 0.00 H new ATOM 0 HG LEU B 13 -1.884 7.205 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.502 6.815 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.426 5.296 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU B 13 0.597 5.747 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.175 8.730 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.117 7.746 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.607 8.618 -4.559 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.380 3.281 -5.478 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.447 2.667 -6.257 1.00 0.00 C ATOM 1072 C GLN B 14 -5.102 1.525 -5.483 1.00 0.00 C ATOM 1073 O GLN B 14 -6.327 1.404 -5.457 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.907 2.150 -7.593 1.00 0.00 C ATOM 1075 CG GLN B 14 -4.986 1.969 -8.655 1.00 0.00 C ATOM 1076 CD GLN B 14 -4.650 0.890 -9.666 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -5.523 0.137 -10.096 1.00 0.00 O ATOM 1078 NE2 GLN B 14 -3.381 0.808 -10.049 1.00 0.00 N ATOM 0 H GLN B 14 -2.443 3.124 -5.850 1.00 0.00 H new ATOM 0 HA GLN B 14 -5.201 3.430 -6.451 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -3.155 2.845 -7.965 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -3.406 1.196 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.929 1.721 -8.168 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.136 2.914 -9.177 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -2.690 1.453 -9.666 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -3.097 0.100 -10.726 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.278 0.690 -4.854 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.793 -0.432 -4.088 1.00 0.00 C ATOM 1089 C GLY B 15 -5.834 -0.013 -3.067 1.00 0.00 C ATOM 1090 O GLY B 15 -6.794 -0.738 -2.811 1.00 0.00 O ATOM 0 H GLY B 15 -3.261 0.771 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.231 -1.162 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.968 -0.928 -3.577 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.634 1.161 -2.480 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.553 1.694 -1.480 1.00 0.00 C ATOM 1096 C TYR B 16 -7.777 2.327 -2.141 1.00 0.00 C ATOM 1097 O TYR B 16 -8.912 2.092 -1.726 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.828 2.732 -0.616 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.742 3.526 0.297 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -7.264 2.955 1.449 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -7.078 4.845 0.007 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -8.095 3.672 2.286 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.908 5.569 0.841 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.414 4.978 1.979 1.00 0.00 C ATOM 1105 OH TYR B 16 -9.243 5.695 2.813 1.00 0.00 O ATOM 0 H TYR B 16 -4.838 1.766 -2.681 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.895 0.871 -0.852 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.079 2.224 -0.009 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.295 3.423 -1.269 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -7.016 1.933 1.695 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.684 5.310 -0.884 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.494 3.212 3.178 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -8.159 6.592 0.603 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.732 6.410 3.247 1.00 0.00 H new ATOM 1115 N THR B 17 -7.530 3.143 -3.158 1.00 0.00 N ATOM 1116 CA THR B 17 -8.597 3.837 -3.873 1.00 0.00 C ATOM 1117 C THR B 17 -9.649 2.873 -4.426 1.00 0.00 C ATOM 1118 O THR B 17 -10.847 3.081 -4.230 1.00 0.00 O ATOM 1119 CB THR B 17 -8.007 4.676 -5.008 1.00 0.00 C ATOM 1120 OG1 THR B 17 -6.841 5.354 -4.573 1.00 0.00 O ATOM 1121 CG2 THR B 17 -8.963 5.719 -5.550 1.00 0.00 C ATOM 0 H THR B 17 -6.593 3.342 -3.509 1.00 0.00 H new ATOM 0 HA THR B 17 -9.098 4.488 -3.156 1.00 0.00 H new ATOM 0 HB THR B 17 -7.784 3.965 -5.803 1.00 0.00 H new ATOM 0 HG1 THR B 17 -6.055 4.791 -4.735 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.478 6.276 -6.352 1.00 0.00 H new ATOM 0 HG22 THR B 17 -9.855 5.228 -5.938 1.00 0.00 H new ATOM 0 HG23 THR B 17 -9.245 6.405 -4.751 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.210 1.826 -5.124 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.142 0.856 -5.701 1.00 0.00 C ATOM 1131 C VAL B 18 -11.122 0.336 -4.655 1.00 0.00 C ATOM 1132 O VAL B 18 -12.275 0.030 -4.958 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.413 -0.356 -6.320 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.523 0.069 -7.480 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.613 -1.100 -5.260 1.00 0.00 C ATOM 0 H VAL B 18 -8.225 1.628 -5.303 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.680 1.390 -6.484 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.167 -1.036 -6.716 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -8.023 -0.806 -7.895 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.132 0.539 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.776 0.779 -7.124 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -8.107 -1.951 -5.717 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.873 -0.428 -4.825 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.285 -1.455 -4.479 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.642 0.238 -3.420 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.456 -0.245 -2.310 1.00 0.00 C ATOM 1147 C GLU B 19 -12.422 0.837 -1.840 1.00 0.00 C ATOM 1148 O GLU B 19 -13.572 0.553 -1.504 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.555 -0.698 -1.154 1.00 0.00 C ATOM 1150 CG GLU B 19 -11.190 -1.754 -0.264 1.00 0.00 C ATOM 1151 CD GLU B 19 -11.349 -3.089 -0.965 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -10.345 -3.600 -1.505 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -12.477 -3.625 -0.971 1.00 0.00 O ATOM 0 H GLU B 19 -9.688 0.488 -3.161 1.00 0.00 H new ATOM 0 HA GLU B 19 -12.041 -1.098 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -9.624 -1.091 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -10.295 0.169 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -10.579 -1.887 0.628 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -12.167 -1.404 0.068 1.00 0.00 H new ATOM 1160 N VAL B 20 -11.948 2.078 -1.828 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.770 3.204 -1.408 1.00 0.00 C ATOM 1162 C VAL B 20 -13.989 3.349 -2.311 1.00 0.00 C ATOM 1163 O VAL B 20 -15.116 3.448 -1.839 1.00 0.00 O ATOM 1164 CB VAL B 20 -11.965 4.523 -1.420 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -12.876 5.720 -1.163 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -10.839 4.469 -0.394 1.00 0.00 C ATOM 0 H VAL B 20 -10.999 2.328 -2.105 1.00 0.00 H new ATOM 0 HA VAL B 20 -13.098 3.003 -0.388 1.00 0.00 H new ATOM 0 HB VAL B 20 -11.523 4.645 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.286 6.636 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -13.640 5.769 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.354 5.611 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -10.282 5.406 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.260 4.320 0.600 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.169 3.643 -0.632 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.754 3.365 -3.615 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.838 3.501 -4.580 1.00 0.00 C ATOM 1178 C LEU B 21 -15.873 2.392 -4.401 1.00 0.00 C ATOM 1179 O LEU B 21 -17.079 2.638 -4.445 1.00 0.00 O ATOM 1180 CB LEU B 21 -14.279 3.469 -6.005 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.301 4.604 -6.345 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -12.362 4.189 -7.469 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -14.056 5.876 -6.721 1.00 0.00 C ATOM 0 H LEU B 21 -12.825 3.286 -4.029 1.00 0.00 H new ATOM 0 HA LEU B 21 -15.329 4.459 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.773 2.516 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -15.112 3.505 -6.707 1.00 0.00 H new ATOM 0 HG LEU B 21 -12.703 4.811 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -11.678 5.008 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -11.791 3.313 -7.161 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -12.944 3.948 -8.359 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -13.343 6.666 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -14.685 5.682 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -14.680 6.189 -5.884 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.386 1.168 -4.220 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.251 0.003 -4.054 1.00 0.00 C ATOM 1197 C ARG B 22 -16.921 -0.053 -2.677 1.00 0.00 C ATOM 1198 O ARG B 22 -17.956 -0.703 -2.521 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.440 -1.277 -4.279 1.00 0.00 C ATOM 1200 CG ARG B 22 -16.293 -2.500 -4.606 1.00 0.00 C ATOM 1201 CD ARG B 22 -16.541 -2.633 -6.102 1.00 0.00 C ATOM 1202 NE ARG B 22 -17.425 -1.585 -6.608 1.00 0.00 N ATOM 1203 CZ ARG B 22 -18.747 -1.580 -6.440 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -19.346 -2.549 -5.760 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -19.472 -0.593 -6.950 1.00 0.00 N ATOM 0 H ARG B 22 -14.389 0.956 -4.184 1.00 0.00 H new ATOM 0 HA ARG B 22 -17.046 0.089 -4.795 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -14.734 -1.110 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -14.852 -1.485 -3.385 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -15.796 -3.398 -4.239 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.247 -2.427 -4.084 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -15.589 -2.591 -6.632 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -16.980 -3.609 -6.311 1.00 0.00 H new ATOM 0 HE ARG B 22 -17.004 -0.810 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -18.794 -3.308 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -20.359 -2.535 -5.637 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -19.017 0.158 -7.469 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -20.484 -0.586 -6.824 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.330 0.603 -1.676 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.883 0.586 -0.316 1.00 0.00 C ATOM 1221 C GLN B 23 -17.456 1.943 0.075 1.00 0.00 C ATOM 1222 O GLN B 23 -18.602 2.038 0.515 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.798 0.175 0.683 1.00 0.00 C ATOM 1224 CG GLN B 23 -15.362 -1.276 0.544 1.00 0.00 C ATOM 1225 CD GLN B 23 -16.399 -2.251 1.068 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -16.344 -2.670 2.224 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -17.350 -2.619 0.217 1.00 0.00 N ATOM 0 H GLN B 23 -15.475 1.149 -1.778 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.696 -0.140 -0.296 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -14.930 0.821 0.551 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -16.166 0.340 1.695 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -15.163 -1.493 -0.506 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -14.426 -1.423 1.083 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -17.357 -2.246 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -18.074 -3.274 0.513 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.651 2.985 -0.081 1.00 0.00 N ATOM 1237 CA GLN B 24 -17.068 4.340 0.259 1.00 0.00 C ATOM 1238 C GLN B 24 -17.333 4.461 1.763 1.00 0.00 C ATOM 1239 O GLN B 24 -18.474 4.340 2.208 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.320 4.731 -0.535 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.233 4.395 -2.016 1.00 0.00 C ATOM 1242 CD GLN B 24 -19.499 4.746 -2.772 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -20.370 5.447 -2.255 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -19.607 4.261 -4.005 1.00 0.00 N ATOM 0 H GLN B 24 -15.700 2.918 -0.443 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.261 5.023 -0.006 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.185 4.224 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.491 5.802 -0.424 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -17.392 4.930 -2.457 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -18.029 3.330 -2.131 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -18.861 3.684 -4.393 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -20.436 4.465 -4.563 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.277 4.688 2.570 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.400 4.808 4.024 1.00 0.00 C ATOM 1255 C PRO B 25 -16.730 6.232 4.475 1.00 0.00 C ATOM 1256 O PRO B 25 -16.750 7.155 3.662 1.00 0.00 O ATOM 1257 CB PRO B 25 -15.007 4.399 4.496 1.00 0.00 C ATOM 1258 CG PRO B 25 -14.099 4.917 3.432 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.873 4.835 2.136 1.00 0.00 C ATOM 0 HA PRO B 25 -17.212 4.204 4.429 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.771 4.833 5.468 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.923 3.317 4.601 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.800 5.944 3.642 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -13.186 4.324 3.378 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.734 5.730 1.530 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.551 3.987 1.531 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.997 6.434 5.784 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.326 7.753 6.329 1.00 0.00 C ATOM 1269 C PRO B 26 -16.098 8.656 6.449 1.00 0.00 C ATOM 1270 O PRO B 26 -16.211 9.880 6.385 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.908 7.444 7.725 1.00 0.00 C ATOM 1272 CG PRO B 26 -18.024 5.955 7.798 1.00 0.00 C ATOM 1273 CD PRO B 26 -17.007 5.411 6.839 1.00 0.00 C ATOM 0 HA PRO B 26 -18.016 8.294 5.681 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -17.258 7.825 8.513 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.880 7.919 7.857 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -17.835 5.599 8.811 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -19.028 5.629 7.528 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -16.028 5.297 7.305 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -17.293 4.432 6.454 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.926 8.044 6.632 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.677 8.790 6.769 1.00 0.00 C ATOM 1283 C ASP B 27 -12.593 8.203 5.875 1.00 0.00 C ATOM 1284 O ASP B 27 -12.420 6.987 5.803 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.213 8.783 8.229 1.00 0.00 C ATOM 1286 CG ASP B 27 -14.137 9.581 9.131 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -15.175 9.031 9.553 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -13.819 10.755 9.415 1.00 0.00 O ATOM 0 H ASP B 27 -14.818 7.031 6.689 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.860 9.819 6.458 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.160 7.755 8.586 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.205 9.194 8.290 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.870 9.082 5.190 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.804 8.666 4.289 1.00 0.00 C ATOM 1295 C LEU B 28 -9.538 8.306 5.062 1.00 0.00 C ATOM 1296 O LEU B 28 -8.864 7.327 4.742 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.498 9.777 3.282 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.657 10.155 2.354 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -11.352 11.455 1.622 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -11.936 9.036 1.360 1.00 0.00 C ATOM 0 H LEU B 28 -12.005 10.092 5.243 1.00 0.00 H new ATOM 0 HA LEU B 28 -11.144 7.779 3.755 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.188 10.667 3.830 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.650 9.468 2.671 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.549 10.303 2.963 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -12.186 11.708 0.967 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -11.204 12.255 2.347 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.447 11.334 1.026 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -12.762 9.324 0.710 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -11.046 8.855 0.757 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -12.199 8.127 1.900 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.214 9.107 6.073 1.00 0.00 N ATOM 1313 CA VAL B 29 -8.020 8.869 6.875 1.00 0.00 C ATOM 1314 C VAL B 29 -8.147 7.586 7.697 1.00 0.00 C ATOM 1315 O VAL B 29 -7.228 6.771 7.726 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.713 10.065 7.812 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -8.777 10.207 8.893 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -6.321 9.927 8.429 1.00 0.00 C ATOM 0 H VAL B 29 -9.759 9.922 6.355 1.00 0.00 H new ATOM 0 HA VAL B 29 -7.190 8.756 6.177 1.00 0.00 H new ATOM 0 HB VAL B 29 -7.730 10.974 7.211 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -8.534 11.054 9.534 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -9.749 10.371 8.428 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -8.811 9.297 9.492 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -6.127 10.777 9.083 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -6.269 9.005 9.008 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -5.573 9.900 7.637 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.284 7.411 8.364 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.512 6.224 9.184 1.00 0.00 C ATOM 1330 C GLU B 30 -9.416 4.952 8.351 1.00 0.00 C ATOM 1331 O GLU B 30 -8.628 4.057 8.655 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.880 6.304 9.865 1.00 0.00 C ATOM 1333 CG GLU B 30 -11.058 5.308 10.999 1.00 0.00 C ATOM 1334 CD GLU B 30 -12.465 5.312 11.562 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -12.821 6.281 12.265 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -13.212 4.346 11.298 1.00 0.00 O ATOM 0 H GLU B 30 -10.060 8.073 8.354 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.735 6.189 9.948 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -11.024 7.312 10.253 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.657 6.135 9.120 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -10.817 4.307 10.640 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.351 5.540 11.796 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.223 4.877 7.301 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.228 3.712 6.423 1.00 0.00 C ATOM 1345 C PHE B 31 -8.830 3.431 5.874 1.00 0.00 C ATOM 1346 O PHE B 31 -8.509 2.295 5.524 1.00 0.00 O ATOM 1347 CB PHE B 31 -11.211 3.931 5.274 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.378 2.729 4.387 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -11.862 1.536 4.900 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -11.053 2.791 3.041 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -12.019 0.428 4.088 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.207 1.687 2.224 1.00 0.00 C ATOM 1353 CZ PHE B 31 -11.690 0.504 2.748 1.00 0.00 C ATOM 0 H PHE B 31 -10.883 5.608 7.036 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.542 2.846 7.005 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -12.182 4.206 5.685 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.870 4.773 4.671 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.120 1.471 5.947 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.675 3.713 2.626 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.398 -0.495 4.500 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -10.950 1.749 1.177 1.00 0.00 H new ATOM 0 HZ PHE B 31 -11.810 -0.360 2.112 1.00 0.00 H new ATOM 1363 N ALA B 32 -8.004 4.471 5.800 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.641 4.340 5.291 1.00 0.00 C ATOM 1365 C ALA B 32 -5.702 3.732 6.331 1.00 0.00 C ATOM 1366 O ALA B 32 -4.953 2.803 6.029 1.00 0.00 O ATOM 1367 CB ALA B 32 -6.130 5.692 4.826 1.00 0.00 C ATOM 0 H ALA B 32 -8.255 5.417 6.087 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.662 3.657 4.442 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -5.113 5.586 4.448 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.774 6.071 4.033 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -6.135 6.390 5.663 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.746 4.251 7.555 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.894 3.743 8.628 1.00 0.00 C ATOM 1375 C VAL B 33 -5.028 2.226 8.756 1.00 0.00 C ATOM 1376 O VAL B 33 -4.040 1.495 8.693 1.00 0.00 O ATOM 1377 CB VAL B 33 -5.228 4.412 9.979 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -4.473 3.747 11.123 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -4.907 5.899 9.920 1.00 0.00 C ATOM 0 H VAL B 33 -6.359 5.019 7.828 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.864 3.989 8.368 1.00 0.00 H new ATOM 0 HB VAL B 33 -6.294 4.288 10.167 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -4.728 4.239 12.062 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -4.750 2.694 11.178 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -3.400 3.831 10.949 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.146 6.361 10.878 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.847 6.034 9.707 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.498 6.368 9.133 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.263 1.766 8.935 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.543 0.341 9.071 1.00 0.00 C ATOM 1391 C GLU B 34 -6.067 -0.435 7.845 1.00 0.00 C ATOM 1392 O GLU B 34 -5.534 -1.536 7.965 1.00 0.00 O ATOM 1393 CB GLU B 34 -8.041 0.114 9.280 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.892 0.538 8.094 1.00 0.00 C ATOM 1395 CD GLU B 34 -10.377 0.508 8.402 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -10.884 1.492 8.979 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -11.033 -0.502 8.066 1.00 0.00 O ATOM 0 H GLU B 34 -7.088 2.363 8.989 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.998 -0.026 9.941 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.215 -0.943 9.482 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.364 0.665 10.163 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -8.608 1.545 7.789 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -8.686 -0.120 7.250 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.270 0.149 6.668 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.871 -0.484 5.413 1.00 0.00 C ATOM 1406 C TYR B 35 -4.358 -0.691 5.355 1.00 0.00 C ATOM 1407 O TYR B 35 -3.887 -1.823 5.232 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.327 0.374 4.230 1.00 0.00 C ATOM 1409 CG TYR B 35 -6.070 -0.251 2.873 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -4.795 -0.255 2.320 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -7.103 -0.829 2.141 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -4.556 -0.817 1.080 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -6.870 -1.391 0.899 1.00 0.00 C ATOM 1414 CZ TYR B 35 -5.595 -1.383 0.374 1.00 0.00 C ATOM 1415 OH TYR B 35 -5.361 -1.941 -0.861 1.00 0.00 O ATOM 0 H TYR B 35 -6.710 1.062 6.556 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.349 -1.462 5.358 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.394 0.573 4.330 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.818 1.337 4.276 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -3.977 0.189 2.868 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -8.103 -0.839 2.549 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -3.558 -0.812 0.666 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -7.683 -1.834 0.343 1.00 0.00 H new ATOM 0 HH TYR B 35 -6.129 -1.774 -1.446 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.599 0.395 5.431 1.00 0.00 N ATOM 1426 CA PHE B 36 -2.141 0.308 5.373 1.00 0.00 C ATOM 1427 C PHE B 36 -1.586 -0.556 6.504 1.00 0.00 C ATOM 1428 O PHE B 36 -0.690 -1.372 6.286 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.523 1.710 5.411 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.550 2.409 4.077 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.617 2.096 3.103 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.506 3.374 3.798 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.635 2.729 1.875 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.529 4.012 2.571 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.592 3.688 1.609 1.00 0.00 C ATOM 0 H PHE B 36 -3.964 1.342 5.532 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.871 -0.170 4.431 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -2.059 2.316 6.142 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.491 1.635 5.754 1.00 0.00 H new ATOM 0 HD1 PHE B 36 0.135 1.347 3.306 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -3.241 3.630 4.547 1.00 0.00 H new ATOM 0 HE1 PHE B 36 0.098 2.474 1.124 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -3.278 4.762 2.365 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.608 4.184 0.650 1.00 0.00 H new ATOM 1445 N THR B 37 -2.116 -0.379 7.710 1.00 0.00 N ATOM 1446 CA THR B 37 -1.660 -1.156 8.860 1.00 0.00 C ATOM 1447 C THR B 37 -1.817 -2.656 8.594 1.00 0.00 C ATOM 1448 O THR B 37 -1.036 -3.471 9.087 1.00 0.00 O ATOM 1449 CB THR B 37 -2.444 -0.765 10.115 1.00 0.00 C ATOM 1450 OG1 THR B 37 -3.830 -0.708 9.841 1.00 0.00 O ATOM 1451 CG2 THR B 37 -2.030 0.574 10.685 1.00 0.00 C ATOM 0 H THR B 37 -2.857 0.291 7.917 1.00 0.00 H new ATOM 0 HA THR B 37 -0.604 -0.937 9.020 1.00 0.00 H new ATOM 0 HB THR B 37 -2.220 -1.538 10.850 1.00 0.00 H new ATOM 0 HG1 THR B 37 -4.088 0.218 9.653 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.624 0.791 11.573 1.00 0.00 H new ATOM 0 HG22 THR B 37 -0.974 0.544 10.953 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.193 1.353 9.940 1.00 0.00 H new ATOM 1459 N ARG B 38 -2.830 -3.006 7.805 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.095 -4.404 7.460 1.00 0.00 C ATOM 1461 C ARG B 38 -2.111 -4.891 6.398 1.00 0.00 C ATOM 1462 O ARG B 38 -1.690 -6.046 6.409 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.542 -4.576 6.965 1.00 0.00 C ATOM 1464 CG ARG B 38 -5.221 -5.841 7.479 1.00 0.00 C ATOM 1465 CD ARG B 38 -5.687 -5.688 8.924 1.00 0.00 C ATOM 1466 NE ARG B 38 -5.680 -6.962 9.639 1.00 0.00 N ATOM 1467 CZ ARG B 38 -6.062 -7.101 10.907 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -6.489 -6.052 11.598 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -6.017 -8.294 11.485 1.00 0.00 N ATOM 0 H ARG B 38 -3.483 -2.341 7.391 1.00 0.00 H new ATOM 0 HA ARG B 38 -2.963 -5.007 8.358 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.127 -3.710 7.273 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.544 -4.591 5.875 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.075 -6.078 6.845 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -4.529 -6.680 7.407 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -5.040 -4.979 9.440 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -6.694 -5.270 8.938 1.00 0.00 H new ATOM 0 HE ARG B 38 -5.364 -7.793 9.138 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -6.526 -5.132 11.158 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -6.780 -6.165 12.569 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -5.690 -9.104 10.958 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -6.309 -8.401 12.456 1.00 0.00 H new ATOM 1483 N LEU B 39 -1.767 -4.004 5.469 1.00 0.00 N ATOM 1484 CA LEU B 39 -0.853 -4.343 4.385 1.00 0.00 C ATOM 1485 C LEU B 39 0.478 -4.876 4.918 1.00 0.00 C ATOM 1486 O LEU B 39 0.902 -5.975 4.559 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.616 -3.117 3.486 1.00 0.00 C ATOM 1488 CG LEU B 39 -0.832 -3.366 1.991 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -2.317 -3.437 1.667 1.00 0.00 C ATOM 1490 CD2 LEU B 39 -0.151 -2.286 1.159 1.00 0.00 C ATOM 0 H LEU B 39 -2.109 -3.043 5.446 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.315 -5.135 3.795 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -1.281 -2.315 3.806 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.404 -2.765 3.638 1.00 0.00 H new ATOM 0 HG LEU B 39 -0.381 -4.325 1.738 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.448 -3.614 0.600 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -2.774 -4.252 2.229 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.794 -2.496 1.940 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -0.318 -2.483 0.100 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -0.567 -1.312 1.417 1.00 0.00 H new ATOM 0 HD23 LEU B 39 0.919 -2.289 1.365 1.00 0.00 H new ATOM 1502 N ARG B 40 1.138 -4.091 5.764 1.00 0.00 N ATOM 1503 CA ARG B 40 2.424 -4.494 6.330 1.00 0.00 C ATOM 1504 C ARG B 40 2.273 -5.644 7.319 1.00 0.00 C ATOM 1505 O ARG B 40 3.186 -6.452 7.490 1.00 0.00 O ATOM 1506 CB ARG B 40 3.107 -3.321 6.996 1.00 0.00 C ATOM 1507 CG ARG B 40 2.370 -2.823 8.206 1.00 0.00 C ATOM 1508 CD ARG B 40 2.790 -1.411 8.544 1.00 0.00 C ATOM 1509 NE ARG B 40 4.232 -1.315 8.745 1.00 0.00 N ATOM 1510 CZ ARG B 40 4.840 -0.269 9.304 1.00 0.00 C ATOM 1511 NH1 ARG B 40 4.137 0.781 9.711 1.00 0.00 N ATOM 1512 NH2 ARG B 40 6.158 -0.270 9.451 1.00 0.00 N ATOM 0 H ARG B 40 0.807 -3.177 6.072 1.00 0.00 H new ATOM 0 HA ARG B 40 3.044 -4.843 5.504 1.00 0.00 H new ATOM 0 HB2 ARG B 40 4.116 -3.612 7.287 1.00 0.00 H new ATOM 0 HB3 ARG B 40 3.205 -2.508 6.277 1.00 0.00 H new ATOM 0 HG2 ARG B 40 1.296 -2.854 8.022 1.00 0.00 H new ATOM 0 HG3 ARG B 40 2.567 -3.479 9.054 1.00 0.00 H new ATOM 0 HD2 ARG B 40 2.488 -0.739 7.741 1.00 0.00 H new ATOM 0 HD3 ARG B 40 2.273 -1.083 9.446 1.00 0.00 H new ATOM 0 HE ARG B 40 4.811 -2.097 8.439 1.00 0.00 H new ATOM 0 HH11 ARG B 40 3.123 0.791 9.597 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.610 1.577 10.138 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.706 -1.071 9.136 1.00 0.00 H new ATOM 0 HH22 ARG B 40 6.624 0.530 9.879 1.00 0.00 H new ATOM 1754 N GLU C 591 -13.540 -4.111 -12.916 1.00 0.00 N ATOM 1755 CA GLU C 591 -12.931 -3.397 -14.042 1.00 0.00 C ATOM 1756 C GLU C 591 -13.116 -1.878 -13.968 1.00 0.00 C ATOM 1757 O GLU C 591 -12.150 -1.149 -13.751 1.00 0.00 O ATOM 1758 CB GLU C 591 -13.488 -3.928 -15.366 1.00 0.00 C ATOM 1759 CG GLU C 591 -12.721 -3.445 -16.586 1.00 0.00 C ATOM 1760 CD GLU C 591 -13.264 -4.018 -17.880 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -14.437 -4.448 -17.892 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -12.518 -4.036 -18.882 1.00 0.00 O ATOM 0 HA GLU C 591 -11.859 -3.585 -13.985 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -13.473 -5.018 -15.346 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -14.531 -3.625 -15.459 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -12.762 -2.357 -16.629 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -11.671 -3.720 -16.483 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.345 -1.391 -14.171 1.00 0.00 N ATOM 1770 CA GLU C 592 -14.624 0.047 -14.147 1.00 0.00 C ATOM 1771 C GLU C 592 -14.034 0.723 -12.912 1.00 0.00 C ATOM 1772 O GLU C 592 -13.716 1.911 -12.932 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.134 0.291 -14.206 1.00 0.00 C ATOM 1774 CG GLU C 592 -16.513 1.739 -14.502 1.00 0.00 C ATOM 1775 CD GLU C 592 -17.835 1.865 -15.237 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -18.796 1.166 -14.854 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -17.907 2.663 -16.195 1.00 0.00 O ATOM 0 H GLU C 592 -15.162 -1.973 -14.354 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.148 0.488 -15.023 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -16.567 -0.352 -14.972 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.578 -0.004 -13.255 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -16.570 2.293 -13.565 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -15.726 2.201 -15.098 1.00 0.00 H new ATOM 1784 N ILE C 593 -13.875 -0.051 -11.848 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.306 0.455 -10.605 1.00 0.00 C ATOM 1786 C ILE C 593 -11.804 0.668 -10.761 1.00 0.00 C ATOM 1787 O ILE C 593 -11.213 1.504 -10.078 1.00 0.00 O ATOM 1788 CB ILE C 593 -13.592 -0.505 -9.421 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.012 -0.269 -8.874 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -12.551 -0.349 -8.313 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.104 0.847 -7.853 1.00 0.00 C ATOM 0 H ILE C 593 -14.133 -1.037 -11.820 1.00 0.00 H new ATOM 0 HA ILE C 593 -13.780 1.411 -10.383 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.526 -1.528 -9.792 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -15.677 -0.041 -9.707 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.373 -1.192 -8.421 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -12.781 -1.036 -7.499 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -11.561 -0.574 -8.710 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -12.568 0.675 -7.940 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.136 0.949 -7.518 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -14.467 0.613 -7.000 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -14.775 1.782 -8.306 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.189 -0.090 -11.669 1.00 0.00 N ATOM 1804 CA TRP C 594 -9.757 0.020 -11.918 1.00 0.00 C ATOM 1805 C TRP C 594 -9.440 1.224 -12.785 1.00 0.00 C ATOM 1806 O TRP C 594 -8.552 2.013 -12.463 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.229 -1.244 -12.597 1.00 0.00 C ATOM 1808 CG TRP C 594 -7.740 -1.261 -12.698 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -6.985 -0.821 -13.744 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -6.824 -1.736 -11.710 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -5.650 -0.987 -13.464 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.527 -1.552 -12.221 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -6.979 -2.298 -10.441 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.389 -1.913 -11.502 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -5.852 -2.655 -9.731 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.572 -2.462 -10.261 1.00 0.00 C ATOM 0 H TRP C 594 -11.663 -0.787 -12.243 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.267 0.144 -10.952 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.562 -2.119 -12.038 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -9.658 -1.322 -13.596 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -7.378 -0.403 -14.659 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -4.878 -0.732 -14.080 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -7.963 -2.450 -10.023 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.399 -1.765 -11.909 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -5.960 -3.091 -8.749 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -3.710 -2.752 -9.679 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.177 1.378 -13.875 1.00 0.00 N ATOM 1828 CA LYS C 595 -9.967 2.508 -14.759 1.00 0.00 C ATOM 1829 C LYS C 595 -10.107 3.798 -13.964 1.00 0.00 C ATOM 1830 O LYS C 595 -9.299 4.716 -14.106 1.00 0.00 O ATOM 1831 CB LYS C 595 -10.961 2.468 -15.920 1.00 0.00 C ATOM 1832 CG LYS C 595 -10.989 3.746 -16.759 1.00 0.00 C ATOM 1833 CD LYS C 595 -12.139 4.661 -16.359 1.00 0.00 C ATOM 1834 CE LYS C 595 -13.490 4.011 -16.622 1.00 0.00 C ATOM 1835 NZ LYS C 595 -14.505 4.998 -17.084 1.00 0.00 N ATOM 0 H LYS C 595 -10.918 0.740 -14.164 1.00 0.00 H new ATOM 0 HA LYS C 595 -8.963 2.460 -15.181 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -10.714 1.626 -16.567 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -11.960 2.284 -15.524 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -10.045 4.278 -16.643 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -11.081 3.486 -17.814 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -12.055 4.911 -15.301 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -12.070 5.596 -16.914 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -13.376 3.230 -17.374 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -13.843 3.528 -15.711 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -15.410 4.513 -17.251 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -14.634 5.730 -16.356 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -14.181 5.441 -17.967 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.143 3.870 -13.134 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.385 5.061 -12.330 1.00 0.00 C ATOM 1851 C LYS C 596 -10.311 5.251 -11.262 1.00 0.00 C ATOM 1852 O LYS C 596 -9.653 6.290 -11.223 1.00 0.00 O ATOM 1853 CB LYS C 596 -12.764 4.978 -11.665 1.00 0.00 C ATOM 1854 CG LYS C 596 -13.923 4.864 -12.654 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.355 6.225 -13.198 1.00 0.00 C ATOM 1856 CE LYS C 596 -15.306 6.941 -12.248 1.00 0.00 C ATOM 1857 NZ LYS C 596 -15.763 8.247 -12.801 1.00 0.00 N ATOM 0 H LYS C 596 -11.824 3.122 -13.001 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.351 5.921 -12.999 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -12.783 4.117 -10.997 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -12.912 5.864 -11.047 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -13.629 4.220 -13.483 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -14.771 4.385 -12.164 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -13.474 6.845 -13.366 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -14.840 6.092 -14.165 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -16.171 6.307 -12.053 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -14.809 7.105 -11.292 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -16.408 8.703 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -14.940 8.862 -12.964 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -16.260 8.088 -13.701 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.134 4.255 -10.385 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.142 4.333 -9.315 1.00 0.00 C ATOM 1873 C ALA C 597 -7.781 4.780 -9.843 1.00 0.00 C ATOM 1874 O ALA C 597 -7.087 5.574 -9.208 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.005 2.980 -8.640 1.00 0.00 C ATOM 0 H ALA C 597 -10.668 3.386 -10.399 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.486 5.075 -8.594 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.264 3.044 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -9.966 2.684 -8.219 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -8.686 2.238 -9.373 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.406 4.260 -11.010 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.129 4.602 -11.627 1.00 0.00 C ATOM 1883 C GLU C 598 -6.072 6.096 -11.946 1.00 0.00 C ATOM 1884 O GLU C 598 -5.017 6.719 -11.841 1.00 0.00 O ATOM 1885 CB GLU C 598 -5.903 3.761 -12.893 1.00 0.00 C ATOM 1886 CG GLU C 598 -5.355 2.369 -12.614 1.00 0.00 C ATOM 1887 CD GLU C 598 -4.802 1.702 -13.859 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -5.496 1.716 -14.898 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -3.675 1.165 -13.796 1.00 0.00 O ATOM 0 H GLU C 598 -7.969 3.600 -11.546 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.329 4.376 -10.922 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -6.847 3.669 -13.430 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -5.212 4.289 -13.550 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -4.569 2.436 -11.862 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -6.146 1.748 -12.194 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.212 6.668 -12.317 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.282 8.091 -12.628 1.00 0.00 C ATOM 1898 C GLU C 599 -6.978 8.921 -11.381 1.00 0.00 C ATOM 1899 O GLU C 599 -6.219 9.888 -11.436 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.664 8.448 -13.177 1.00 0.00 C ATOM 1901 CG GLU C 599 -8.735 9.838 -13.789 1.00 0.00 C ATOM 1902 CD GLU C 599 -10.025 10.077 -14.548 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -11.106 9.957 -13.935 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -9.955 10.384 -15.756 1.00 0.00 O ATOM 0 H GLU C 599 -8.098 6.170 -12.410 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.536 8.318 -13.389 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -8.947 7.713 -13.931 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -9.395 8.377 -12.372 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -8.639 10.584 -13.000 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -7.890 9.977 -14.463 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.581 8.540 -10.259 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.382 9.252 -8.998 1.00 0.00 C ATOM 1913 C ALA C 600 -5.904 9.369 -8.633 1.00 0.00 C ATOM 1914 O ALA C 600 -5.446 10.424 -8.193 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.145 8.558 -7.881 1.00 0.00 C ATOM 0 H ALA C 600 -8.212 7.741 -10.196 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.767 10.263 -9.128 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -7.990 9.096 -6.946 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.208 8.545 -8.120 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.784 7.535 -7.775 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.166 8.275 -8.796 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.744 8.256 -8.457 1.00 0.00 C ATOM 1923 C VAL C 601 -2.897 9.020 -9.467 1.00 0.00 C ATOM 1924 O VAL C 601 -2.023 9.798 -9.090 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.204 6.818 -8.340 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.784 6.827 -7.793 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -4.114 5.980 -7.457 1.00 0.00 C ATOM 0 H VAL C 601 -5.526 7.392 -9.159 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.666 8.751 -7.489 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.185 6.372 -9.334 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.417 5.803 -7.716 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.139 7.394 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.777 7.290 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.718 4.967 -7.385 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -4.163 6.422 -6.462 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.114 5.949 -7.890 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.171 8.801 -10.748 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.437 9.476 -11.815 1.00 0.00 C ATOM 1939 C ASN C 602 -2.632 10.984 -11.728 1.00 0.00 C ATOM 1940 O ASN C 602 -1.725 11.757 -12.032 1.00 0.00 O ATOM 1941 CB ASN C 602 -2.902 8.967 -13.182 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.010 9.445 -14.310 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -1.028 8.792 -14.661 1.00 0.00 O ATOM 1944 ND2 ASN C 602 -2.350 10.592 -14.886 1.00 0.00 N ATOM 0 H ASN C 602 -3.896 8.162 -11.074 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.377 9.254 -11.696 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -2.920 7.877 -13.174 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -3.923 9.302 -13.363 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -1.788 10.964 -15.652 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -3.173 11.101 -14.563 1.00 0.00 H new ATOM 1951 N GLU C 603 -3.818 11.397 -11.316 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.125 12.815 -11.191 1.00 0.00 C ATOM 1953 C GLU C 603 -3.438 13.428 -9.972 1.00 0.00 C ATOM 1954 O GLU C 603 -2.754 14.443 -10.092 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.642 13.020 -11.104 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.350 12.900 -12.445 1.00 0.00 C ATOM 1957 CD GLU C 603 -7.810 13.303 -12.371 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -8.197 13.958 -11.380 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -8.567 12.964 -13.304 1.00 0.00 O ATOM 0 H GLU C 603 -4.584 10.773 -11.062 1.00 0.00 H new ATOM 0 HA GLU C 603 -3.745 13.321 -12.078 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.060 12.287 -10.415 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -5.844 14.005 -10.683 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -5.841 13.526 -13.178 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -6.278 11.872 -12.799 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.636 12.836 -8.793 1.00 0.00 N ATOM 1967 CA VAL C 604 -3.046 13.373 -7.571 1.00 0.00 C ATOM 1968 C VAL C 604 -1.518 13.310 -7.562 1.00 0.00 C ATOM 1969 O VAL C 604 -0.864 14.148 -6.940 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.599 12.673 -6.316 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -2.889 11.349 -6.057 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -3.484 13.599 -5.113 1.00 0.00 C ATOM 0 H VAL C 604 -4.195 11.993 -8.661 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.333 14.424 -7.551 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.651 12.446 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -3.304 10.882 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.030 10.687 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -1.824 11.530 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -3.877 13.097 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -2.437 13.855 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -4.055 14.509 -5.298 1.00 0.00 H new ATOM 1982 N LYS C 605 -0.945 12.320 -8.249 1.00 0.00 N ATOM 1983 CA LYS C 605 0.511 12.184 -8.295 1.00 0.00 C ATOM 1984 C LYS C 605 1.102 13.228 -9.233 1.00 0.00 C ATOM 1985 O LYS C 605 2.075 13.900 -8.894 1.00 0.00 O ATOM 1986 CB LYS C 605 0.941 10.760 -8.691 1.00 0.00 C ATOM 1987 CG LYS C 605 0.442 10.292 -10.060 1.00 0.00 C ATOM 1988 CD LYS C 605 1.539 10.303 -11.131 1.00 0.00 C ATOM 1989 CE LYS C 605 2.054 8.898 -11.431 1.00 0.00 C ATOM 1990 NZ LYS C 605 2.195 8.070 -10.201 1.00 0.00 N ATOM 0 H LYS C 605 -1.458 11.611 -8.773 1.00 0.00 H new ATOM 0 HA LYS C 605 0.901 12.359 -7.292 1.00 0.00 H new ATOM 0 HB2 LYS C 605 2.030 10.709 -8.681 1.00 0.00 H new ATOM 0 HB3 LYS C 605 0.582 10.064 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS C 605 0.040 9.283 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS C 605 -0.378 10.934 -10.381 1.00 0.00 H new ATOM 0 HD2 LYS C 605 1.149 10.750 -12.046 1.00 0.00 H new ATOM 0 HD3 LYS C 605 2.366 10.930 -10.797 1.00 0.00 H new ATOM 0 HE2 LYS C 605 1.371 8.404 -12.122 1.00 0.00 H new ATOM 0 HE3 LYS C 605 3.020 8.967 -11.932 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 2.732 7.208 -10.423 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 2.699 8.614 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 1.252 7.809 -9.848 1.00 0.00 H new ATOM 2004 N ARG C 606 0.487 13.388 -10.397 1.00 0.00 N ATOM 2005 CA ARG C 606 0.939 14.388 -11.352 1.00 0.00 C ATOM 2006 C ARG C 606 0.767 15.781 -10.746 1.00 0.00 C ATOM 2007 O ARG C 606 1.443 16.729 -11.143 1.00 0.00 O ATOM 2008 CB ARG C 606 0.157 14.276 -12.667 1.00 0.00 C ATOM 2009 CG ARG C 606 0.886 14.876 -13.861 1.00 0.00 C ATOM 2010 CD ARG C 606 -0.020 14.997 -15.081 1.00 0.00 C ATOM 2011 NE ARG C 606 -0.794 16.236 -15.066 1.00 0.00 N ATOM 2012 CZ ARG C 606 -1.538 16.659 -16.086 1.00 0.00 C ATOM 2013 NH1 ARG C 606 -1.623 15.938 -17.198 1.00 0.00 N ATOM 2014 NH2 ARG C 606 -2.202 17.802 -15.992 1.00 0.00 N ATOM 0 H ARG C 606 -0.320 12.843 -10.700 1.00 0.00 H new ATOM 0 HA ARG C 606 1.993 14.218 -11.573 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -0.050 13.225 -12.869 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -0.806 14.774 -12.551 1.00 0.00 H new ATOM 0 HG2 ARG C 606 1.269 15.861 -13.594 1.00 0.00 H new ATOM 0 HG3 ARG C 606 1.747 14.256 -14.109 1.00 0.00 H new ATOM 0 HD2 ARG C 606 0.585 14.958 -15.987 1.00 0.00 H new ATOM 0 HD3 ARG C 606 -0.699 14.145 -15.114 1.00 0.00 H new ATOM 0 HE ARG C 606 -0.763 16.811 -14.224 1.00 0.00 H new ATOM 0 HH11 ARG C 606 -1.117 15.056 -17.274 1.00 0.00 H new ATOM 0 HH12 ARG C 606 -2.194 16.267 -17.976 1.00 0.00 H new ATOM 0 HH21 ARG C 606 -2.143 18.357 -15.138 1.00 0.00 H new ATOM 0 HH22 ARG C 606 -2.772 18.126 -16.773 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.150 15.893 -9.782 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.421 17.168 -9.114 1.00 0.00 C ATOM 2030 C GLN C 607 0.642 17.498 -8.055 1.00 0.00 C ATOM 2031 O GLN C 607 1.249 18.565 -8.097 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.818 17.142 -8.462 1.00 0.00 C ATOM 2033 CG GLN C 607 -2.863 17.999 -9.173 1.00 0.00 C ATOM 2034 CD GLN C 607 -3.519 17.284 -10.337 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -4.429 16.365 -10.030 1.00 0.00 O flip ATOM 2036 NE2 GLN C 607 -3.214 17.552 -11.499 1.00 0.00 N flip ATOM 0 H GLN C 607 -0.718 15.115 -9.446 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.387 17.948 -9.875 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -2.172 16.111 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -1.730 17.480 -7.430 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -3.629 18.297 -8.457 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -2.392 18.913 -9.534 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -2.510 18.265 -11.690 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -3.665 17.061 -12.271 1.00 0.00 H new ATOM 2045 N ALA C 608 0.863 16.585 -7.099 1.00 0.00 N ATOM 2046 CA ALA C 608 1.843 16.784 -6.024 1.00 0.00 C ATOM 2047 C ALA C 608 3.171 17.335 -6.539 1.00 0.00 C ATOM 2048 O ALA C 608 3.839 18.114 -5.859 1.00 0.00 O ATOM 2049 CB ALA C 608 2.072 15.456 -5.322 1.00 0.00 C ATOM 0 H ALA C 608 0.370 15.693 -7.049 1.00 0.00 H new ATOM 0 HA ALA C 608 1.441 17.524 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.798 15.589 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA C 608 1.131 15.099 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.451 14.727 -6.038 1.00 0.00 H new ATOM 2055 N MET C 609 3.540 16.929 -7.739 1.00 0.00 N ATOM 2056 CA MET C 609 4.790 17.394 -8.333 1.00 0.00 C ATOM 2057 C MET C 609 4.809 18.925 -8.420 1.00 0.00 C ATOM 2058 O MET C 609 5.873 19.541 -8.394 1.00 0.00 O ATOM 2059 CB MET C 609 5.004 16.768 -9.718 1.00 0.00 C ATOM 2060 CG MET C 609 4.247 17.471 -10.844 1.00 0.00 C ATOM 2061 SD MET C 609 5.208 18.781 -11.632 1.00 0.00 S ATOM 2062 CE MET C 609 4.703 18.597 -13.340 1.00 0.00 C ATOM 0 H MET C 609 3.003 16.286 -8.320 1.00 0.00 H new ATOM 0 HA MET C 609 5.611 17.077 -7.690 1.00 0.00 H new ATOM 0 HB2 MET C 609 6.069 16.778 -9.949 1.00 0.00 H new ATOM 0 HB3 MET C 609 4.695 15.723 -9.684 1.00 0.00 H new ATOM 0 HG2 MET C 609 3.961 16.736 -11.596 1.00 0.00 H new ATOM 0 HG3 MET C 609 3.325 17.894 -10.445 1.00 0.00 H new ATOM 0 HE1 MET C 609 5.214 19.340 -13.953 1.00 0.00 H new ATOM 0 HE2 MET C 609 4.962 17.598 -13.690 1.00 0.00 H new ATOM 0 HE3 MET C 609 3.625 18.741 -13.418 1.00 0.00 H new ATOM 2072 N THR C 610 3.628 19.529 -8.517 1.00 0.00 N ATOM 2073 CA THR C 610 3.512 20.986 -8.602 1.00 0.00 C ATOM 2074 C THR C 610 3.779 21.640 -7.243 1.00 0.00 C ATOM 2075 O THR C 610 4.450 22.669 -7.160 1.00 0.00 O ATOM 2076 CB THR C 610 2.120 21.380 -9.107 1.00 0.00 C ATOM 2077 OG1 THR C 610 1.987 21.092 -10.487 1.00 0.00 O ATOM 2078 CG2 THR C 610 1.799 22.848 -8.914 1.00 0.00 C ATOM 0 H THR C 610 2.736 19.034 -8.539 1.00 0.00 H new ATOM 0 HA THR C 610 4.262 21.342 -9.308 1.00 0.00 H new ATOM 0 HB THR C 610 1.424 20.792 -8.509 1.00 0.00 H new ATOM 0 HG1 THR C 610 1.091 21.349 -10.790 1.00 0.00 H new ATOM 0 HG21 THR C 610 0.799 23.055 -9.294 1.00 0.00 H new ATOM 0 HG22 THR C 610 1.842 23.093 -7.853 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.525 23.454 -9.456 1.00 0.00 H new ATOM 2086 N GLU C 611 3.240 21.042 -6.190 1.00 0.00 N ATOM 2087 CA GLU C 611 3.406 21.570 -4.838 1.00 0.00 C ATOM 2088 C GLU C 611 4.883 21.641 -4.446 1.00 0.00 C ATOM 2089 O GLU C 611 5.295 22.524 -3.696 1.00 0.00 O ATOM 2090 CB GLU C 611 2.630 20.708 -3.840 1.00 0.00 C ATOM 2091 CG GLU C 611 1.137 20.991 -3.823 1.00 0.00 C ATOM 2092 CD GLU C 611 0.798 22.311 -3.156 1.00 0.00 C ATOM 2093 OE1 GLU C 611 0.952 23.363 -3.809 1.00 0.00 O ATOM 2094 OE2 GLU C 611 0.377 22.290 -1.980 1.00 0.00 O ATOM 0 H GLU C 611 2.683 20.189 -6.243 1.00 0.00 H new ATOM 0 HA GLU C 611 3.008 22.584 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU C 611 2.789 19.657 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU C 611 3.034 20.871 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU C 611 0.761 20.999 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU C 611 0.624 20.183 -3.301 1.00 0.00 H new ATOM 2101 N LEU C 612 5.670 20.698 -4.956 1.00 0.00 N ATOM 2102 CA LEU C 612 7.103 20.652 -4.655 1.00 0.00 C ATOM 2103 C LEU C 612 7.911 21.471 -5.650 1.00 0.00 C ATOM 2104 O LEU C 612 9.010 21.932 -5.340 1.00 0.00 O ATOM 2105 CB LEU C 612 7.628 19.216 -4.597 1.00 0.00 C ATOM 2106 CG LEU C 612 7.375 18.346 -5.838 1.00 0.00 C ATOM 2107 CD1 LEU C 612 8.472 18.539 -6.881 1.00 0.00 C ATOM 2108 CD2 LEU C 612 7.277 16.879 -5.441 1.00 0.00 C ATOM 0 H LEU C 612 5.345 19.957 -5.577 1.00 0.00 H new ATOM 0 HA LEU C 612 7.228 21.095 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU C 612 8.703 19.252 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU C 612 7.178 18.722 -3.736 1.00 0.00 H new ATOM 0 HG LEU C 612 6.430 18.658 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU C 612 8.265 17.910 -7.747 1.00 0.00 H new ATOM 0 HD12 LEU C 612 8.501 19.584 -7.190 1.00 0.00 H new ATOM 0 HD13 LEU C 612 9.435 18.261 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU C 612 7.098 16.273 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU C 612 8.209 16.566 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU C 612 6.454 16.746 -4.739 1.00 0.00 H new ATOM 2120 N GLN C 613 7.362 21.658 -6.846 1.00 0.00 N ATOM 2121 CA GLN C 613 8.040 22.433 -7.880 1.00 0.00 C ATOM 2122 C GLN C 613 7.952 23.932 -7.589 1.00 0.00 C ATOM 2123 O GLN C 613 8.364 24.752 -8.409 1.00 0.00 O ATOM 2124 CB GLN C 613 7.439 22.127 -9.254 1.00 0.00 C ATOM 2125 CG GLN C 613 8.224 22.726 -10.414 1.00 0.00 C ATOM 2126 CD GLN C 613 7.972 22.010 -11.727 1.00 0.00 C ATOM 2127 OE1 GLN C 613 7.167 22.454 -12.545 1.00 0.00 O ATOM 2128 NE2 GLN C 613 8.662 20.894 -11.935 1.00 0.00 N ATOM 0 H GLN C 613 6.454 21.286 -7.123 1.00 0.00 H new ATOM 0 HA GLN C 613 9.092 22.147 -7.881 1.00 0.00 H new ATOM 0 HB2 GLN C 613 7.384 21.046 -9.384 1.00 0.00 H new ATOM 0 HB3 GLN C 613 6.417 22.504 -9.286 1.00 0.00 H new ATOM 0 HG2 GLN C 613 7.958 23.777 -10.522 1.00 0.00 H new ATOM 0 HG3 GLN C 613 9.289 22.689 -10.184 1.00 0.00 H new ATOM 0 HE21 GLN C 613 9.319 20.562 -11.229 1.00 0.00 H new ATOM 0 HE22 GLN C 613 8.534 20.369 -12.800 1.00 0.00 H new